⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30707569 | 0.90 | — | — | |
| SCHEMBL23043498 | 0.90 | — | — | |
| SCHEMBL29418915 | 0.90 | — | — | |
| SCHEMBL26607393 | 0.84 | — | — | |
| SCHEMBL30805240 | 0.84 | — | — | |
| SCHEMBL27302945 | 0.83 | GRM5 (0.32) | — | |
| SCHEMBL29428735 | 0.83 | ELANE (0.31) | — | |
| SCHEMBL23043045 | 0.83 | ELANE (0.31) | — | |
| SCHEMBL31618552 | 0.83 | ABCG2 (0.37) | — | |
| SCHEMBL31261800 | 0.83 | — | — |
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-114615981-B | KRAS G12D inhibitors | 米拉蒂治疗股份有限公司 | 2024-04-12 | — | — | CN | disclosed |