⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6949650 | 1.00 | — | — | |
| SCHEMBL27338308 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL27362289 | 0.82 | — | — | |
| SCHEMBL14471112 | 0.80 | — | — | |
| SCHEMBL22152174 | 0.78 | OPRM1 (0.44) | — | |
| SCHEMBL31041049 | 0.78 | OPRM1 (0.44) | — | |
| SCHEMBL6949648 | 0.75 | — | — | |
| SCHEMBL9786101 | 0.75 | TRPV1 (0.32) | — | |
| SCHEMBL100280 | 0.73 | — | — | |
| SCHEMBL1106074 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846113-B1 | 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2003-01-29 | — | — | EP | disclosed |
| US-6107253-A | GOOD HERBICIDAL ACTION AND ARE TOLERABLE IN CROPS SUCH AS WHEAT OR RICE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-22 | — | — | US | disclosed |
| EP-0846113-A1 | 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997007114-A1 | 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-27 | — | — | WO | disclosed |