⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13059139 | 0.76 | — | — | |
| SCHEMBL31617097 | 0.75 | AR (0.39) | — | |
| SCHEMBL18390319 | 0.74 | NPC1 (0.47) | — | |
| SCHEMBL31289252 | 0.74 | — | — | |
| SCHEMBL29911994 | 0.74 | NPC1 (0.47) | — | |
| SCHEMBL17066899 | 0.74 | NPC1 (0.44) | — | |
| SCHEMBL1554909 | 0.72 | NPC1 (0.44) | — | |
| SCHEMBL30154328 | 0.72 | NPC1 (0.42) | — | |
| SCHEMBL12507379 | 0.71 | NPC1 (0.45) | — | |
| SCHEMBL12507686 | 0.71 | NPC1 (0.49) | — |
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-4737449-A1 | P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Changchun Genescience Pharmaceutical Co., Ltd. (CN) | 2026-05-06 | — | — | EP | disclosed |
| WO-2025002177-A1 | P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 长春金赛药业有限责任公司 | 2025-01-02 | — | — | WO | disclosed |