⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2936021 | 0.74 | — | — | |
| SCHEMBL17812066 | 0.65 | — | — | |
| SCHEMBL17812081 | 0.61 | — | — | |
| SCHEMBL18210783 | 0.59 | — | — | |
| SCHEMBL16828699 | 0.55 | — | — | |
| SCHEMBL23940953 | 0.55 | NPC1 (0.55) | — | |
| SCHEMBL23823345 | 0.55 | — | — | |
| SCHEMBL18994701 | 0.50 | — | — | |
| SCHEMBL5718179 | 0.50 | — | — | |
| SCHEMBL7358958 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |