Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.

• Most structurally similar compounds. The percentage is a measure of how structurally similar those molecules are, which is often strongly correlated with their effects.
  1

  

  Tripotassium;phospho...

  Check on pubchem

  

  2

  

  Supreme

  Check on pubchem

  

  3

  

  Potassium Carbonate

  Check on pubchem

  

  4

  

  Lithium chromate

  Check on pubchem

  49.8%

  ---

  5

  

  Magnesium phosphide

  Check on pubchem

  49.8%

  ---

  6

  

  Sodium chlorite

  Check on pubchem

  49.8%

  ---

  7

  

  Cesium hydroxide

  Check on pubchem

  49.8%

  ---

  8

  

  Sodium Fluoride

  Check on pubchem

  49.7%

  ---

  9

  

  Milk of magnesia

  Check on pubchem

  

  Magnesium dihydroxid...

  Check on pubchem

  49.7%

  ---

  10

  

  Calcium metasilicate

  Check on pubchem

  49.7%

  ---

  11

  

  Ferric fluoride

  Check on pubchem

  

  Iron(III)fluoride

  Check on pubchem

  49.7%

  ---

  12

  

  Kali silicatum

  Check on pubchem

  49.7%

  ---

  13

  

  Sodium silicate

  Check on pubchem

  49.7%

  ---

  14

  

  Sodium bifluoride

  Check on pubchem

  49.7%

  ---

  15

  

  Lithium sulfate

  Check on wiki

  49.7%

  ---

  16

  

  Slaked lime

  Check on pubchem

  

  Calcium dihydroxide

  Check on pubchem

  49.7%

  ---

  17

  

  Sodium Hydroxide

  Check on pubchem

  49.7%

  ---

  18

  

  Zinc fluorure

  Check on pubchem

  49.7%

  ---

  19

  

  Lithium ferrosilicon

  Check on pubchem

  49.7%

  ---

  20

  

  Potassium fluoride

  Check on pubchem

  49.7%

  ---

  21

  

  Potassium Hydroxide

  Check on pubchem

  49.7%

  ---

  22

  

  Potassium heptafluor...

  Check on pubchem

  49.7%

  ---

  23

  

  Calcium difluoride

  Check on pubchem

  

  Fluorite

  Check on pubchem

  49.7%

  ---

  24

  

  Lithium bromide

  Check on wiki

  49.6%

  ---

  25

  

  Lithium carbonate

  Check on pubchem

  

  Lithium carbonate

  Check on wiki

  49.6%

  ---

  26

  

  Lithium chloride

  Check on pubchem

  

  Lithium chloride

  Check on drugmap

  

  Lithium chloride

  Check on wiki

  49.6%

  ---

  27

  

  Lithium peroxide (Li...

  Check on pubchem

  49.6%

  ---

  28

  

  Lithium amide

  Check on pubchem

  49.5%

  ---

  29

  

  Lithium (medication)

  Check on wiki

  49.2%

  ---

  30

  

  Lithium fluoride

  Check on pubchem

  0.0%

  ---

• Similarities computed based on affinities of molecules with selected proteins docking site.
  Similar affinitiesLess addictive similar moleculesLess addictive similar molecules bisAffinities Profile
  • List of compounds which have the most similar docking sites affinities. The percentage is a measure of how similar the binding affinities of the molecules are, which should be a proxy to how similarly they interact with the brain.
    1

    

    JWH-022

    

    2

    

    6α-Chloro-17β-hydrox...

    

    3

    

    ALD-52

    

    ald-52

    

    1-Acetyl-LSD

    

    ALD-52

    

    ALD-52

    

    4

    

    CBC

    85.2%

    ---

    5

    

    Δ6-Cannabidiol

    

    Delta-6-Cannabidiol

    85.1%

    ---

    6

    

    CUMYL-4CN-BINACA

    

    CUMYL-4CN-BINACA

    85.1%

    ---

    7

    

    6,8β-Dimethyl-2-(2-m...

    

    Fumigaclavine C

    85.1%

    ---

    8

    

    JWH-018

    

    JWH-018

    

    1-Pentyl-3-(1-naphth...

    

    JWH-018

    85.1%

    ---

    9

    

    A-834,735

    

    A-834,735

    85.0%

    ---

    10

    

    Cannabidiol

    

    CBD

    

    (+)-CBD

    

    epi-CBD

    

    Cannabidiol

    

    Cannabidiol

    85.0%

    ---

    11

    

    AMB-CHMINACA

    

    AMB-CHMINACA

    85.0%

    ---

    12

    

    CBL

    

    Cannabicyclol

    84.8%

    ---

    13

    

    CUMYL-THPINACA

    

    CUMYL-THPINACA

    84.8%

    ---

    14

    

    GRC-10693

    

    Tedalinab

    

    Tedalinab

    84.8%

    ---

    15

    

    palfium

    

    Dextromoramide

    

    Levomoramide

    

    Racemoramide

    

    Racemoramide

    

    Levomoramide

    

    Dextromoramide

    84.8%

    ---

    16

    

    Furuza

    84.7%

    ---

    17

    

    3β-Hydroxypregn-5-en...

    

    Pregnenolone

    

    Pregnenolone

    

    Pregnenolone (medica...

    84.7%

    ---

    18

    

    Testosterone propion...

    84.5%

    ---

    19

    

    3α-Hydroxy-5α-pregna...

    

    Allopregnanolone

    

    Allopregnanolone

    84.3%

    ---

  • List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
    1

    

    mpa

    

    2-MeO-MA

    

    Methoxyphenamine

    

    Methoxyphenamine

    

    2

    

    3′-F-4-MAR

    

    3

    

    N,N-Me-2,5-HMPEA

    

    4

    

    BODM

    88.7%

    ---

    5

    

    MM-GEA

    88.7%

    ---

    6

    

    6-Fluoro-AMT

    

    6-Fluoro-AMT

    88.7%

    ---

    7

    

    4-FPO

    88.7%

    ---

    8

    

    5-Carbamoyl-T

    

    [3H]5-CT

    

    5-Carboxamidotryptam...

    88.7%

    ---

    9

    

    1-(3,5-Dimethoxyphen...

    88.7%

    ---

    10

    

    IM

    

    Isomescaline

    88.7%

    ---

    11

    

    1-(2,6-Dimethoxyphen...

    88.7%

    ---

    12

    

    β,N-Me-4-MPEA

    88.7%

    ---

    13

    

    β,3,4-TMPEA

    88.7%

    ---

    14

    

    25H-NMe

    88.7%

    ---

    15

    

    β,N-Me-2-MPEA

    88.7%

    ---

    16

    

    2,3-HMeMMPEA

    88.7%

    ---

    17

    

    BO3MM

    88.7%

    ---

    18

    

    3-MeO-MA

    

    3-Methoxymethampheta...

    88.7%

    ---

    19

    

    N-Me-2,6-DMPEA

    88.7%

    ---

    20

    

    N-Me-3,5-DMPEA

    88.6%

    ---

  • List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions, but now using addictive data predicted by a Machine Learning model. In practive this one is slightly more reliable than the other approach. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
    1

    

    Metizolam

    

    metizolam

    

    Metizolam

    

    Metizolam

    

    Metizolam

    

    2

    

    Methaqualone

    

    ethaqualone

    

    methaqualone

    

    Methaqualone

    

    Methaqualone

    

    Méthaqualone

    

    Methaqualone

    

    3

    

    Memantine

    

    memantine

    

    Memantine

    

    Memantine

    

    Memantine

    

    Memantine

    

    4

    

    aleph-2

    

    ALEPH-2

    39.2%

    ---

    5

    

    Escaline

    

    escaline

    

    Escaline

    

    Escaline

    

    Escaline

    39.2%

    ---

    6

    

    F-Phenibut

    

    fluorophenibut

    

    F-Phenibut

    

    4-Amino-3-(4-fluoro-...

    39.2%

    ---

    7

    

    APICA

    

    APICA

    

    APICA (synthetic can...

    39.2%

    ---

    8

    

    ibuprofen

    

    Ibuprofen

    

    Dexibuprofen

    39.1%

    ---

    9

    

    2c-b-an

    38.9%

    ---

    10

    

    Phenibut

    

    phenibut

    

    Phenibut

    

    Phenibut

    

    Phenibut

    38.9%

    ---

    11

    

    3-FMA

    

    3-fma

    

    3-FMA

    

    3-FMA

    

    3-Fluoromethamphetam...

    38.9%

    ---

    12

    

    TMA

    

    TMA

    38.8%

    ---

    13

    

    Methcathinone

    

    Methcathinone

    

    Methcathinone

    38.7%

    ---

    14

    

    3C-P

    

    3c-p

    

    3C-P

    

    3C-P

    38.6%

    ---

    15

    

    PRO-LAD

    

    pro-lad

    

    PRO-LAD

    

    PRO-LAD

    

    PRO-LAD

    38.3%

    ---

    16

    

    Pramiracetam

    

    pramiracetam

    

    Pramiracetam

    

    Pramiracétam

    

    Pramiracetam

    

    Pramiracetam

    37.9%

    ---

    17

    

    centrophenoxine

    

    Meclofenoxate

    

    Meclofenoxate

    37.6%

    ---

    18

    

    Oxiracetam

    

    oxiracetam

    

    Oxiracetam

    

    Oxiracétam

    

    Oxiracetam

    37.4%

    ---

    19

    

    4-HO-MPT

    

    4-ho-mpt

    

    4-HO-MPT

    

    4-HO-MPT

    

    4-HO-MPT

    37.4%

    ---

    20

    

    TMA-6

    

    tma-6

    

    TMA-6

    

    TMA-6

    37.4%

    ---

    21

    

    2C-P

    

    2c-p

    

    2C-P

    

    2C-P

    

    2C-P

    37.3%

    ---

    22

    

    Ethylone

    

    ethylone

    

    EtONE

    

    Ethylone

    

    Ethylone

    36.6%

    ---

    23

    

    5-apdi

    

    5-APDI

    

    5-APDI

    36.1%

    ---

    24

    

    metaxalone

    

    Metaxalone

    

    Metaxalone

    35.7%

    ---

    25

    

    Ephenidine

    

    ephenidine

    

    Ephenidine

    

    Éphénidine

    

    Ephenidine

    35.2%

    ---

    26

    

    GBL

    

    gbl

    

    GBL

    

    gamma-Butyrolactone

    

    GBL

    

    Gamma-butyrolactone

    34.6%

    ---

    27

    

    Etazene

    

    etodesnitazene

    

    Etodesnitazene

    

    Etodesnitazene

    32.7%

    ---

    28

    

    3-fmc

    

    3-FMC

    

    3-Fluoromethcathinon...

    32.5%

    ---

    29

    

    TMA-2

    

    tma-2

    

    TMA-2

    

    TMA-2

    29.0%

    ---

    30

    

    4-cic

    

    4-CIC

    0.0%

    ---

  • Binding affinities with a list of 34 predefined docking sites. Those affinities are used to compute the interactions similarities.
    AF-A5X5Y0

    AF-O95264

    AF-P08588

    AF-P08908

    AF-P13945

    AF-P18089

    AF-P21728

    AF-P21918

    AF-P25100

    AF-P28221

    AF-P28566

    AF-P46098

    AF-Q9Y2T6

    P08913_6KUX

    P14416_6CM4

    P18825_6KUW

    P21917_5WIU

    P28222_4IAR

    P28223_6WGT

    P28335_6BQH

    P35462_3PBL

    P41595_4IB4
• Interaction of this molecule with metabolism ?
  Reactions that metabolize this molecule

  11-beta-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: EC 1.14.15.4

  17-OH-Glucuronidation of sterol

  Product:

  InChI=1S/C26H40O7S/c...

  Enzymes: EC 2.4.1.17

  16-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  2-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2C19, CYP3A4

  4-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP3A4

  S-Oxidation of dialkylthioether to sulfoxide

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2

  6-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4
  Reactions that metabolism produce from this molecule

  11-beta-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: EC 1.14.15.4

  17-OH-Glucuronidation of sterol

  Product:

  InChI=1S/C26H40O7S/c...

  Enzymes: EC 2.4.1.17

  16-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

  2-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2C19, CYP3A4

  4-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP3A4

  S-Oxidation of dialkylthioether to sulfoxide

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2

  Hydroxylation of heteroalicyclic secondary carbon

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP1A2

  6-Hydroxylation of sterol

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

  Hydroxylation of methyl carbon adjacent to aliphatic ring

  Product:

  InChI=1S/C20H32O2S/c...

  Enzymes: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4