⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4167249 | 0.83 | — | — | |
| SCHEMBL4169667 | 0.75 | — | — | |
| SCHEMBL4167434 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL4171947 | 0.70 | — | — | |
| SCHEMBL4173836 | 0.68 | — | — | |
| SCHEMBL3736239 | 0.67 | — | — | |
| SCHEMBL2306478 | 0.64 | PDE2A (0.32) | — | |
| SCHEMBL939260 | 0.64 | — | — | |
| SCHEMBL4166340 | 0.62 | MEN1 (0.32) | — | |
| SCHEMBL4175752 | 0.62 | LMNA (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090048112-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |
| EP-1885720-A2 | 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES | Syngenta Limited (GB) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006123088-A2 | 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES | SYNGENTA LIMITED (GB) | 2006-11-23 | — | — | WO | disclosed |