⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597601 | 0.80 | — | — | |
| SCHEMBL157712 | 0.76 | — | — | |
| SCHEMBL192755 | 0.76 | — | — | |
| SCHEMBL193422 | 0.76 | — | — | |
| SCHEMBL10810774 | 0.73 | — | — | |
| SCHEMBL596854 | 0.73 | — | — | |
| SCHEMBL193200 | 0.73 | LPL (0.38) | — | |
| SCHEMBL17911858 | 0.73 | IDO1 (0.39) | — | |
| SCHEMBL597407 | 0.71 | — | — | |
| SCHEMBL14237690 | 0.71 | ALDH1A1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431565-B2 | Substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | claimed |
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | claimed |
| US-8114886-B2 | Pyridylmethylsulfone derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-02-14 | — | — | US | disclosed |
| CN-101163678-B | Pyridylmethylsulfone derivative | DAIICHI SANKYO CO LTD | 2012-01-04 | — | — | CN | disclosed |
| US-20090149439-A1 | PYRIDYLMETHYSULFONE DERIVATIVE | DAIICHI SANKYO COMPANY LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |
| CN-101163678-A | Pyridylmethylsulfone derivative | DAIICHI SANKYO CO LTD (JP) | 2008-04-16 | — | — | CN | disclosed |
| EP-1867636-A1 | PYRIDYLMETHYLSULFONE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2007-12-19 | — | — | EP | disclosed |