⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21233324 | 0.84 | F2 (0.33) | — | |
| SCHEMBL21233121 | 0.81 | PPARA (0.32) | — | |
| SCHEMBL22952403 | 0.78 | LATS1 (0.38) | — | |
| SCHEMBL21233326 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL22952404 | 0.75 | PHGDH (0.34) | — | |
| SCHEMBL22952454 | 0.75 | KMO (0.33) | — | |
| SCHEMBL22952785 | 0.75 | — | — | |
| SCHEMBL21241071 | 0.75 | PKM (0.31) | — | |
| SCHEMBL22951307 | 0.74 | HTR2C (0.33) | — | |
| SCHEMBL22951394 | 0.72 | PIM1 (0.35) | — |
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-12024500-B2 | Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof | QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) | 2024-07-02 | — | — | US | disclosed |
| US-20210032222-A1 | FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) | 2021-02-04 | — | — | US | disclosed |