⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28546786 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL29592082 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL13601620 | 0.78 | LPL (0.41) | — | |
| SCHEMBL24422669 | 0.75 | CYP3A4 (0.39) | — | |
| SCHEMBL28589703 | 0.75 | JAK2 (0.38) | — | |
| SCHEMBL28499705 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL28622364 | 0.73 | — | — | |
| SCHEMBL29592069 | 0.72 | TAAR1 (0.33) | — | |
| SCHEMBL2658980 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL28516479 | 0.69 | LPL (0.37) | — |
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-117800975-A | Compounds with anti-KRAS mutant tumor activity | 泰励生物科技（上海）有限公司 | 2024-04-02 | — | — | CN | disclosed |