⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23492948 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL12508452 | 0.75 | — | — | |
| SCHEMBL20938475 | 0.72 | — | — | |
| SCHEMBL20245903 | 0.70 | — | — | |
| SCHEMBL21217152 | 0.69 | — | — | |
| SCHEMBL25129403 | 0.67 | — | — | |
| SCHEMBL15785947 | 0.67 | — | — | |
| SCHEMBL6844978 | 0.65 | — | — | |
| SCHEMBL202185 | 0.60 | — | — | |
| SCHEMBL891604 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747870-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2020-12-09 | — | — | EP | disclosed |