⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29181802 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL25081029 | 0.83 | HTT (0.33) | — | |
| SCHEMBL25601605 | 0.78 | — | — | |
| SCHEMBL30254311 | 0.78 | — | — | |
| SCHEMBL30835154 | 0.77 | ABL1 (0.40) | — | |
| SCHEMBL26709323 | 0.77 | ABL1 (0.40) | — | |
| SCHEMBL27141138 | 0.74 | — | — | |
| SCHEMBL26709320 | 0.74 | ABCB1 (0.33) | — | |
| SCHEMBL27138690 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL31662220 | 0.72 | PPARG (0.32) | — |
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-119790059-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物股份有限公司 | 2025-04-08 | — | — | CN | disclosed |