⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10083606 | 0.79 | — | — | |
| SCHEMBL16216124 | 0.79 | — | — | |
| SCHEMBL12259749 | 0.77 | — | — | |
| SCHEMBL22019480 | 0.77 | — | — | |
| SCHEMBL20858070 | 0.75 | — | — | |
| SCHEMBL19559003 | 0.73 | KDM4E (0.50) | — | |
| SCHEMBL19115746 | 0.71 | — | — | |
| SCHEMBL24926359 | 0.71 | HDAC3 (0.33) | — | |
| SCHEMBL15125093 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL27550296 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11076594-B2 | Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof | QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) | 2021-08-03 | — | — | US | disclosed |
| US-20180055054-A1 | PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) | 2018-03-01 | — | — | US | disclosed |