⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31347094 | 0.79 | DYRK1A (0.39) | — | |
| SCHEMBL26108747 | 0.79 | DYRK1A (0.39) | — | |
| SCHEMBL26105260 | 0.75 | — | — | |
| SCHEMBL31347131 | 0.75 | — | — | |
| SCHEMBL26104190 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL30612183 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL19743468 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL26107697 | 0.67 | ALPL (0.40) | — | |
| SCHEMBL19958260 | 0.64 | DYRK1A (0.32) | — | |
| SCHEMBL31206714 | 0.64 | CHEK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116865-A1 | PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 优领医药科技（上海）有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116865-A1 | PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 优领医药科技（上海）有限公司 | 2023-06-29 | — | — | WO | disclosed |