⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5678753 | 0.84 | — | — | |
| SCHEMBL10528840 | 0.83 | — | — | |
| SCHEMBL22771 | 0.78 | — | — | |
| SCHEMBL7361987 | 0.73 | — | — | |
| SCHEMBL7359885 | 0.73 | — | — | |
| SCHEMBL15511996 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL3675425 | 0.71 | — | — | |
| SCHEMBL2290987 | 0.70 | — | — | |
| SCHEMBL626520 | 0.70 | — | — | |
| SCHEMBL7357513 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008103357-A1 | FUNGICIDAL TRICYCLIC 1,2,4-TRIAZOLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-08-28 | — | — | WO | disclosed |