⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16065691 | 0.78 | — | — | |
| SCHEMBL536081 | 0.75 | — | — | |
| SCHEMBL1207509 | 0.73 | — | — | |
| SCHEMBL18827359 | 0.73 | GABRA1 (0.42) | — | |
| SCHEMBL24742162 | 0.73 | — | — | |
| SCHEMBL14941227 | 0.70 | — | — | |
| SCHEMBL20305430 | 0.67 | PRKAA2 (0.31) | — | |
| SCHEMBL893059 | 0.67 | CYP2C19 (0.31) | — | |
| SCHEMBL1106719 | 0.63 | — | — | |
| SCHEMBL2886350 | 0.61 | HSP90AA1 (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |