⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6023515 | 0.76 | POLB (0.36) | — | |
| SCHEMBL6023517 | 0.76 | POLB (0.36) | — | |
| SCHEMBL21939221 | 0.69 | — | — | |
| SCHEMBL413517 | 0.66 | — | — | |
| SCHEMBL15372069 | 0.66 | — | — | |
| SCHEMBL185083 | 0.66 | — | — | |
| SCHEMBL376768 | 0.64 | — | — | |
| SCHEMBL376769 | 0.64 | — | — | |
| SCHEMBL1718555 | 0.64 | — | — | |
| SCHEMBL21728092 | 0.64 | — | — |
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-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 |