⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8302702 | 0.89 | GABRP (0.32) | — | |
| SCHEMBL7460779 | 0.79 | — | — | |
| SCHEMBL364961 | 0.78 | — | — | |
| SCHEMBL7957533 | 0.72 | GABRP (0.41) | — | |
| SCHEMBL8507631 | 0.70 | — | — | |
| SCHEMBL7468104 | 0.70 | — | — | |
| SCHEMBL1644627 | 0.68 | — | — | |
| SCHEMBL9464077 | 0.67 | HCAR2 (0.34) | — | |
| SCHEMBL10774415 | 0.65 | — | — | |
| SCHEMBL7956853 | 0.65 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0948487-A1 | PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES | RHONE-POULENC AGROCHIMIE (FR) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998028279-A1 | PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES | RHONE-POULENC AGROCHIMIE (FR) | 1998-07-02 | — | — | WO | disclosed |