⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30161775 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL24035522 | 0.76 | GAA (0.31) | — | |
| SCHEMBL24035650 | 0.69 | GAA (0.34) | — | |
| SCHEMBL24035530 | 0.63 | GAA (0.32) | — | |
| SCHEMBL24031598 | 0.63 | — | — | |
| SCHEMBL24035535 | 0.60 | POLB (0.34) | — | |
| SCHEMBL11318440 | 0.60 | — | — | |
| SCHEMBL665258 | 0.59 | TSHR (0.45) | — | |
| SCHEMBL24031578 | 0.57 | GAA (0.34) | — | |
| SCHEMBL2056465 | 0.56 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192703-A1 | Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof | Suzhou Alphama Biotechnology Co., Ltd. (CN) | 2023-06-22 | — | — | US | disclosed |
| EP-4141004-A1 | POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Suzhou Alphama Biotechnology Co., Ltd. (CN) | 2023-03-01 | — | — | EP | disclosed |
| CN-113149996-B | Polycyclic amide derivative as CDK9 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2022-12-20 | — | — | CN | disclosed |