⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21233107 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL22952780 | 0.78 | — | — | |
| SCHEMBL22952404 | 0.75 | PHGDH (0.34) | — | |
| SCHEMBL22952438 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL12245379 | 0.73 | MAPT (0.48) | — | |
| SCHEMBL22952789 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL12859412 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL22951274 | 0.71 | — | — | |
| SCHEMBL22952408 | 0.71 | AKT1 (0.38) | — | |
| SCHEMBL22951397 | 0.71 | LATS1 (0.37) | — |
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 |