⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24424964 | 0.75 | — | — | |
| SCHEMBL23640594 | 0.63 | — | — | |
| SCHEMBL11148579 | 0.57 | — | — | |
| SCHEMBL25095875 | 0.54 | — | — | |
| SCHEMBL11094464 | 0.54 | — | — | |
| SCHEMBL18831946 | 0.54 | — | — | |
| SCHEMBL8864761 | 0.53 | — | — | |
| SCHEMBL1294253 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL6311594 | 0.52 | — | — | |
| SCHEMBL14044571 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022095960-A1 | KRAS INHIBITORS FOR TREATMENT OF CANCERS | 泰励生物科技（上海）有限公司 | 2022-05-12 | — | — | WO | disclosed |