⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1030996 | 0.81 | CYP1A2 (0.37) | — | |
| SCHEMBL13640032 | 0.79 | CYP1A2 (0.33) | — | |
| SCHEMBL31575751 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL8469351 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL10617618 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL15824316 | 0.68 | CCR2 (0.34) | — | |
| SCHEMBL28773021 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL5083323 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL2067553 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL11351080 | 0.67 | ALDH1A1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718646-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2010-05-18 | — | — | US | disclosed |
| US-7718646-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2010-05-18 | — | — | US | disclosed |
| US-20080261949-A1 | ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether | SANOFI-AVENTIS (FR) | 2008-10-23 | — | — | US | disclosed |
| US-7419974-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2008-09-02 | — | — | US | disclosed |
| US-7419974-B2 | Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2008-09-02 | — | — | US | disclosed |
| US-7388031-B2 | Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2008-06-17 | — | — | US | disclosed |
| US-20070015745-A1 | Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | US | disclosed |
| US-20070015745-A1 | Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | US | disclosed |
| US-20040053916-A1 | Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same | SANOFI (FR) | 2004-03-18 | — | — | US | disclosed |