⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18381791 | 0.73 | — | — | |
| SCHEMBL8910615 | 0.65 | — | — | |
| SCHEMBL21653962 | 0.63 | — | — | |
| SCHEMBL4830192 | 0.59 | — | — | |
| SCHEMBL18758176 | 0.59 | — | — | |
| SCHEMBL20516462 | 0.54 | — | — | |
| SCHEMBL20763891 | 0.48 | — | — | |
| SCHEMBL22036310 | 0.48 | — | — | |
| SCHEMBL194138 | 0.45 | — | — | |
| SCHEMBL104655 | 0.45 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9896439-B2 | Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2018-02-20 | — | — | US | disclosed |
| US-20170096416-A1 | PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | ROCHE PALO ALTO LLC (US) | 2017-04-06 | — | — | US | disclosed |
| US-20130289025-A1 | PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | ROCHE PALO ALTO LLC (US) | 2013-10-31 | — | — | US | disclosed |
| US-8440673-B2 | Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2013-05-14 | — | — | US | disclosed |
| US-8318767-B2 | Substituted imidazoles as bombesin receptor subtype-3 modulators | MERCK SHARP & DOHME CORP (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120088788-A1 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | SCHERING CORPORATION | 2012-04-12 | — | — | US | disclosed |
| US-20110160232-A1 | CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF | INTELLIKINE LLC | 2011-06-30 | — | — | US | disclosed |
| US-7759339-B2 | Hydroxysteroid dehydrogenase inhibitors | TAKEDA SAN DIEGO, INC. (US) | 2010-07-20 | — | — | US | disclosed |
| US-7759339-B2 | Hydroxysteroid dehydrogenase inhibitors | TAKEDA SAN DIEGO, INC. (US) | 2010-07-20 | — | — | US | disclosed |
| US-20090170873-A1 | Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC | 2009-07-02 | — | — | US | disclosed |