⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473155 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL8932725 | 0.93 | LMNA (0.52) | — | |
| Acetic Acid SCHEMBL2232465 | 0.93 | LMNA (0.52) | — | |
| SCHEMBL23387653 | 0.93 | LMNA (0.52) | — | |
| SCHEMBL6206193 | 0.87 | LMNA (0.47) | — | |
| SCHEMBL10782916 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL29011882 | 0.84 | LMNA (0.44) | — | |
| SCHEMBL28397825 | 0.81 | LMNA (0.50) | — | |
| SCHEMBL29728566 | 0.81 | TSHR (0.60) | — | |
| SCHEMBL514364 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023083201-A1 | AMINOPYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海拓界生物医药科技有限公司 | 2023-05-19 | — | — | WO | disclosed |