⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22951400 | 0.81 | — | — | |
| SCHEMBL22952794 | 0.81 | — | — | |
| SCHEMBL22951406 | 0.81 | CYP1A2 (0.37) | — | |
| SCHEMBL22952784 | 0.79 | — | — | |
| SCHEMBL22952454 | 0.78 | KMO (0.33) | — | |
| SCHEMBL22952790 | 0.77 | — | — | |
| SCHEMBL22952780 | 0.76 | — | — | |
| SCHEMBL22951304 | 0.76 | — | — | |
| SCHEMBL22952752 | 0.76 | CYP3A4 (0.35) | — | |
| SCHEMBL22951308 | 0.76 | HTR2C (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |