⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31634042 | 0.76 | PARP1 (0.34) | — | |
| SCHEMBL25030877 | 0.74 | — | — | |
| SCHEMBL30184473 | 0.74 | — | — | |
| SCHEMBL29212451 | 0.73 | — | — | |
| SCHEMBL31363366 | 0.72 | LRRK2 (0.34) | — | |
| SCHEMBL31634068 | 0.68 | MTNR1B (0.41) | — | |
| SCHEMBL25326431 | 0.67 | CA12 (0.38) | — | |
| SCHEMBL30522820 | 0.67 | CA12 (0.38) | — | |
| SCHEMBL31634110 | 0.67 | — | — | |
| SCHEMBL31634099 | 0.67 | — | — |
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-120192307-A | Compounds targeting p53 mutations | 上海齐鲁制药研究中心有限公司 | 2025-06-24 | — | — | CN | disclosed |