⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24031588 | 0.81 | AR (0.33) | — | |
| SCHEMBL24036203 | 0.74 | NOS3 (0.33) | — | |
| SCHEMBL25095057 | 0.71 | CDK9 (0.37) | — | |
| SCHEMBL24035547 | 0.69 | TGFBR1 (0.36) | — | |
| SCHEMBL24031008 | 0.69 | DYRK1A (0.37) | — | |
| SCHEMBL24031553 | 0.68 | CDK9 (0.36) | — | |
| SCHEMBL24035524 | 0.68 | TGFBR1 (0.34) | — | |
| SCHEMBL24035617 | 0.63 | TGFBR1 (0.31) | — | |
| SCHEMBL24035529 | 0.60 | TGFBR1 (0.38) | — | |
| SCHEMBL24231480 | 0.59 | CDK9 (0.36) | — |
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-2021227904-A1 | POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2021-11-18 | — | — | WO | disclosed |