⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2305114 | 0.84 | — | — | |
| SCHEMBL2480444 | 0.77 | GABRA1 (0.30) | — | |
| SCHEMBL455459 | 0.76 | — | — | |
| SCHEMBL27864548 | 0.75 | MAOB (0.32) | — | |
| SCHEMBL27769168 | 0.73 | — | — | |
| SCHEMBL2698334 | 0.72 | — | — | |
| SCHEMBL5011449 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL28507816 | 0.71 | — | — | |
| SCHEMBL27283800 | 0.71 | — | — | |
| SCHEMBL2481210 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112236428-A | Antiproliferative compounds and uses thereof | 默克专利股份有限公司 | 2021-01-15 | — | — | CN | disclosed |
| US-20080306069-A1 | Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S | ASTEX THERAPEUTICS LIMITED (UK) | 2008-12-11 | — | — | US | disclosed |
| EP-1846395-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S | Astex Therapeutics Limited (GB) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006077414-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |