⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15277098 | 0.89 | — | — | |
| SCHEMBL17327622 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL15457712 | 0.73 | — | — | |
| SCHEMBL4658729 | 0.73 | — | — | |
| SCHEMBL15334 | 0.73 | — | — | |
| SCHEMBL10425918 | 0.73 | CA12 (0.73) | — | |
| SCHEMBL24111240 | 0.71 | — | — | |
| SCHEMBL19779356 | 0.71 | — | — | |
| SCHEMBL18715526 | 0.71 | — | — | |
| SCHEMBL17690702 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |
| US-11111233-B2 | Amino pyrimidine compound for inhibiting protein tyrosine kinase activity | SHENZHEN TARGETRX, INC. (CN) | 2021-09-07 | — | — | US | disclosed |