⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16590867 | 0.77 | — | — | |
| SCHEMBL18889787 | 0.73 | AURKA (0.30) | — | |
| SCHEMBL21347141 | 0.65 | — | — | |
| SCHEMBL27271922 | 0.65 | — | — | |
| SCHEMBL8298049 | 0.64 | — | — | |
| SCHEMBL10917130 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL20076592 | 0.63 | — | — | |
| SCHEMBL16589108 | 0.63 | — | — | |
| SCHEMBL4382641 | 0.60 | — | — | |
| SCHEMBL25492803 | 0.60 | PTPN1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008339-B2 | Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2021-05-18 | — | — | US | disclosed |
| US-20180141961-A1 | Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2018-05-24 | — | — | US | disclosed |