⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30862196 | 1.00 | — | — | |
| SCHEMBL29921588 | 0.79 | CYP4F2 (0.36) | — | |
| SCHEMBL29147503 | 0.79 | CYP4F2 (0.36) | — | |
| SCHEMBL30862195 | 0.77 | CDC7 (0.31) | — | |
| SCHEMBL29238164 | 0.77 | CDC7 (0.31) | — | |
| SCHEMBL29238166 | 0.77 | CDC7 (0.31) | — | |
| SCHEMBL29147744 | 0.63 | CHRM2 (0.34) | — | |
| SCHEMBL30633955 | 0.63 | CHRM2 (0.34) | — | |
| SCHEMBL29238197 | 0.62 | SRC (0.35) | — | |
| SCHEMBL30862194 | 0.62 | SRC (0.35) | — |
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-116964046-B | PLK4 inhibitors and uses thereof | 上海齐鲁制药研究中心有限公司 | 2024-04-19 | — | — | CN | disclosed |