⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL405535 | 0.90 | — | — | |
| SCHEMBL311104 | 0.89 | — | — | |
| SCHEMBL311103 | 0.89 | — | — | |
| SCHEMBL409901 | 0.87 | — | — | |
| SCHEMBL2274832 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL2271152 | 0.86 | — | — | |
| SCHEMBL13779108 | 0.86 | — | — | |
| SCHEMBL311248 | 0.85 | — | — | |
| SCHEMBL10188067 | 0.84 | — | — | |
| SCHEMBL409104 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093275-B2 | Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2012-01-10 | — | — | US | disclosed |
| US-20100324069-A1 | OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | CHEN LI | 2010-12-23 | — | — | US | disclosed |