⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25334147 | 0.92 | — | — | |
| SCHEMBL25335594 | 0.83 | — | — | |
| SCHEMBL5180272 | 0.77 | — | — | |
| SCHEMBL2768761 | 0.74 | — | — | |
| SCHEMBL14915586 | 0.72 | — | — | |
| SCHEMBL18205682 | 0.71 | — | — | |
| SCHEMBL5180401 | 0.70 | — | — | |
| SCHEMBL5178465 | 0.69 | — | — | |
| SCHEMBL14093961 | 0.68 | — | — | |
| SCHEMBL5475474 | 0.67 | CYP1A2 (0.31) | — |
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-2023141852-A1 | CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF | 益方生物科技(上海)股份有限公司 | 2023-08-03 | — | — | WO | disclosed |