⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3654548 | 0.82 | — | — | |
| SCHEMBL29955898 | 0.73 | — | — | |
| SCHEMBL10552586 | 0.73 | — | — | |
| SCHEMBL24133161 | 0.69 | ACE (0.41) | — | |
| SCHEMBL14369222 | 0.69 | ACE (0.41) | — | |
| SCHEMBL5114651 | 0.69 | ACE (0.41) | — | |
| SCHEMBL4416268 | 0.69 | ACE (0.41) | — | |
| SCHEMBL3552646 | 0.69 | CA12 (0.37) | — | |
| SCHEMBL2928932 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL2928936 | 0.68 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2217600-B1 | FUNGICIDAL BICYCLIC PYRAZOLES | DU PONT (US) | 2012-12-05 | — | — | EP | disclosed |
| US-8288375-B2 | Fungicidal bicyclic pyrazoles | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-10-16 | — | — | US | disclosed |
| US-20100273775-A1 | FUNGICIDAL BICYCLIC PYRAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-28 | — | — | US | disclosed |