⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25824617 | 0.73 | LOXL2 (0.36) | — | |
| SCHEMBL31426304 | 0.72 | LOXL2 (0.33) | — | |
| SCHEMBL28596607 | 0.70 | LOXL2 (0.37) | — | |
| SCHEMBL29208176 | 0.69 | — | — | |
| SCHEMBL2094794 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL2094327 | 0.68 | LOXL2 (0.33) | — | |
| SCHEMBL24696441 | 0.68 | ENPP3 (0.35) | — | |
| SCHEMBL21455341 | 0.68 | PTPN1 (0.36) | — | |
| SCHEMBL29208181 | 0.67 | LOXL2 (0.34) | — | |
| SCHEMBL28990300 | 0.67 | LOXL2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117986235-A | P53-Y220C selective small molecule reactivation agent compound, pharmaceutical composition and application thereof | 长春金赛药业有限责任公司 | 2024-05-07 | — | — | CN | disclosed |