⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15130804 | 0.81 | MAPK1 (0.34) | — | |
| SCHEMBL3201704 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL28429897 | 0.74 | DRD2 (0.46) | — | |
| SCHEMBL21047756 | 0.71 | ADH1B (0.34) | — | |
| SCHEMBL15130802 | 0.69 | ADH1B (0.38) | — | |
| SCHEMBL18458215 | 0.69 | ADH1B (0.32) | — | |
| SCHEMBL13397343 | 0.69 | — | — | |
| SCHEMBL4272274 | 0.67 | DRD2 (0.38) | — | |
| SCHEMBL8534956 | 0.67 | DRD2 (0.38) | — | |
| SCHEMBL5370355 | 0.67 | HSD11B1 (0.40) | — |
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-11713307-B2 | Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases | CHEMOCENTRYX, INC. (US) | 2023-08-01 | — | — | US | disclosed |