⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24424965 | 0.75 | — | — | |
| SCHEMBL26372967 | 0.70 | — | — | |
| SCHEMBL25095875 | 0.69 | — | — | |
| SCHEMBL24113203 | 0.67 | — | — | |
| SCHEMBL23963987 | 0.67 | — | — | |
| SCHEMBL25981730 | 0.67 | — | — | |
| SCHEMBL21190079 | 0.60 | — | — | |
| SCHEMBL21737366 | 0.60 | — | — | |
| SCHEMBL18737766 | 0.60 | — | — | |
| SCHEMBL8288299 | 0.59 | — | — |
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 |