⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18917390 | 0.81 | — | — | |
| SCHEMBL9937802 | 0.79 | — | — | |
| SCHEMBL15333524 | 0.78 | — | — | |
| SCHEMBL1806496 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL17112788 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL42894 | 0.74 | — | — | |
| SCHEMBL2596742 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL4520012 | 0.72 | ENPP2 (0.32) | — | |
| SCHEMBL16734984 | 0.72 | — | — | |
| SCHEMBL12491413 | 0.72 | CYP4F2 (0.36) | — |
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-8859538-B2 | Uses of substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2014-10-14 | — | — | US | disclosed |
| EP-2170350-B1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS INC (US) | 2013-09-11 | — | — | EP | disclosed |
| US-8431565-B2 | Substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | disclosed |
| US-20110034443-A1 | USES OF SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2011-02-10 | — | — | US | disclosed |
| EP-2170350-A2 | SUBSTITUTED IMIDAZOHETEROCYCLES | Cara Therapeutics, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | disclosed |
| US-7517874-B2 | Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain | CARA THERAPEUTICS, INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-20080318935-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2008-12-25 | — | — | US | disclosed |
| WO-2008157751-A2 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |