⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5519822 | 1.00 | — | — | |
| SCHEMBL5519826 | 1.00 | — | — | |
| SCHEMBL12453684 | 0.83 | — | — | |
| SCHEMBL12454235 | 0.74 | — | — | |
| SCHEMBL11007834 | 0.67 | — | — | |
| SCHEMBL11007831 | 0.67 | — | — | |
| SCHEMBL17676030 | 0.65 | — | — | |
| SCHEMBL17675824 | 0.63 | — | — | |
| SCHEMBL14325605 | 0.62 | — | — | |
| Bicarbonate SCHEMBL10604571 | 0.62 | FFAR3 (0.30) | — |
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-1998033765-A1 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-08-06 | — | — | WO | disclosed |