⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106424 | 0.73 | POLB (0.33) | — | |
| SCHEMBL21324893 | 0.69 | — | — | |
| SCHEMBL21627160 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL24952528 | 0.67 | — | — | |
| SCHEMBL23583265 | 0.62 | MEN1 (0.33) | — | |
| SCHEMBL21324894 | 0.60 | — | — | |
| SCHEMBL22751162 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL9914394 | 0.59 | — | — | |
| SCHEMBL611663 | 0.59 | POLB (0.35) | — | |
| SCHEMBL13698409 | 0.59 | POLB (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 |
|---|---|---|---|---|---|---|---|
| US-11046684-B2 | Compound for selectively inhibiting kinase and use thereof | SHANGHAI ZHEYE BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) | 2021-06-29 | — | — | US | disclosed |