⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10079982 | 0.84 | — | — | |
| SCHEMBL10079976 | 0.70 | — | — | |
| SCHEMBL10079972 | 0.66 | — | — | |
| SCHEMBL12819955 | 0.63 | — | — | |
| SCHEMBL10079981 | 0.63 | — | — | |
| SCHEMBL25928424 | 0.62 | — | — | |
| SCHEMBL10079980 | 0.59 | PDE4A (0.30) | — | |
| SCHEMBL10079974 | 0.58 | — | — | |
| SCHEMBL18635078 | 0.58 | CYP11B2 (0.33) | — | |
| SCHEMBL17210513 | 0.57 | RPS6KA3 (0.41) | — |
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-2012084678-A1 | NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-06-28 | — | — | WO | disclosed |