⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15088134 | 0.71 | GRIN2D (0.33) | — | |
| SCHEMBL19194413 | 0.67 | — | — | |
| SCHEMBL29937405 | 0.62 | — | — | |
| SCHEMBL28513579 | 0.58 | GSK3A (0.40) | — | |
| SCHEMBL18630388 | 0.58 | PARP1 (0.39) | — | |
| SCHEMBL968063 | 0.58 | SIGMAR1 (0.43) | — | |
| SCHEMBL29043805 | 0.58 | — | — | |
| SCHEMBL4997779 | 0.57 | TRPA1 (0.41) | — | |
| Bromide SCHEMBL7979442 | 0.57 | TRPA1 (0.41) | — | |
| SCHEMBL2561705 | 0.57 | — | — |
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-2023134647-A1 | PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 优领医药科技(香港)有限公司 | 2023-07-20 | — | — | 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 |