⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4968122 | 0.73 | ADH1B (0.50) | — | |
| SCHEMBL4968115 | 0.73 | ADH1B (0.50) | — | |
| SCHEMBL14111097 | 0.73 | ADH1B (0.50) | — | |
| SCHEMBL17323920 | 0.71 | — | — | |
| SCHEMBL4969067 | 0.70 | ADH1B (0.47) | — | |
| SCHEMBL4969064 | 0.70 | ADH1B (0.47) | — | |
| SCHEMBL22154235 | 0.65 | TRPA1 (0.36) | — | |
| SCHEMBL6707616 | 0.65 | — | — | |
| SCHEMBL21939559 | 0.65 | — | — | |
| SCHEMBL13202202 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3287445-B1 | PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO LTD (CN) | 2020-04-29 | — | — | EP | disclosed |
| EP-3287445-A1 | PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF | Qingdao Kingagroot Chemical Compounds Co., Ltd (CN) | 2018-02-28 | — | — | EP | disclosed |