⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13377341 | 0.78 | — | — | |
| SCHEMBL13377306 | 0.76 | RXFP1 (0.33) | — | |
| SCHEMBL13377464 | 0.76 | RXFP1 (0.36) | — | |
| SCHEMBL22996822 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL24312297 | 0.62 | ADORA2B (0.32) | — | |
| SCHEMBL13377469 | 0.61 | KCNA3 (0.33) | — | |
| SCHEMBL13377503 | 0.58 | — | — | |
| SCHEMBL13377513 | 0.58 | MAPT (0.39) | — | |
| SCHEMBL13377495 | 0.58 | ERCC5 (0.45) | — | |
| SCHEMBL13377508 | 0.58 | CYP1A2 (0.30) | — |
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-20100099561-A1 | HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-04-22 | — | — | US | disclosed |
| US-20100099561-A1 | HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-04-22 | — | — | US | disclosed |