⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9545479 | 0.89 | — | — | |
| SCHEMBL9544696 | 0.87 | — | — | |
| SCHEMBL9545293 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL9544679 | 0.78 | — | — | |
| SCHEMBL9544619 | 0.76 | NPSR1 (0.32) | — | |
| SCHEMBL9216963 | 0.75 | NPSR1 (0.38) | — | |
| SCHEMBL9544891 | 0.72 | NPSR1 (0.47) | — | |
| SCHEMBL9544909 | 0.68 | NPSR1 (0.36) | — | |
| SCHEMBL9219503 | 0.66 | NPSR1 (0.35) | — | |
| SCHEMBL9212738 | 0.66 | NPSR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993025535-A1 | HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES | RHONE POULENC AGRICULTURE LTD. (GB) | 1993-12-23 | — | — | WO | claimed |
| WO-1993025535-A1 | HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES | RHONE POULENC AGRICULTURE LTD. (GB) | 1993-12-23 | — | — | WO | disclosed |