⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21241154 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL22952774 | 0.77 | — | — | |
| SCHEMBL22951305 | 0.74 | STIM1 (0.37) | — | |
| SCHEMBL22952761 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL22951402 | 0.71 | — | — | |
| SCHEMBL22951299 | 0.71 | CTSV (0.30) | — | |
| SCHEMBL22951307 | 0.70 | HTR2C (0.33) | — | |
| SCHEMBL21233324 | 0.69 | F2 (0.33) | — | |
| SCHEMBL22952453 | 0.69 | TDP2 (0.36) | — | |
| SCHEMBL22952404 | 0.68 | PHGDH (0.34) | — |
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-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 |
| WO-2019148851-A1 | FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |