⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6966001 | 0.82 | — | — | |
| SCHEMBL6967004 | 0.80 | — | — | |
| SCHEMBL6962783 | 0.78 | THRB (0.40) | — | |
| SCHEMBL35853 | 0.78 | NOS3 (0.46) | — | |
| SCHEMBL28073261 | 0.77 | — | — | |
| SCHEMBL6965957 | 0.75 | — | — | |
| SCHEMBL12445115 | 0.75 | — | — | |
| SCHEMBL6962197 | 0.73 | — | — | |
| SCHEMBL21177126 | 0.73 | — | — | |
| SCHEMBL6965955 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4377591-A | CARBAPENICILLIN ANTIBIOTICS | SANKYO COMPANY, LIMITED (JP) | 1983-03-22 | — | — | US | disclosed |