⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18077511 | 1.00 | — | — | |
| SCHEMBL5940546 | 0.83 | GOT1 (0.50) | — | |
| SCHEMBL27448096 | 0.81 | FFAR2 (0.40) | — | |
| SCHEMBL13356938 | 0.80 | TLR8 (0.47) | — | |
| SCHEMBL17927689 | 0.79 | SOAT1 (0.46) | — | |
| SCHEMBL2105073 | 0.78 | — | — | |
| SCHEMBL24228593 | 0.78 | GOT1 (0.48) | — | |
| SCHEMBL16259081 | 0.78 | GOT1 (0.48) | — | |
| SCHEMBL17700270 | 0.78 | GOT1 (0.48) | — | |
| SCHEMBL28163938 | 0.77 | SOAT1 (0.48) | — |
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-117903169-A | Pan-KRAS inhibitor compound | 杭州阿诺生物医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |