⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9784073 | 0.78 | CYP11B1 (0.40) | — | |
| SCHEMBL9784081 | 0.78 | QPCT (0.40) | — | |
| Bromide SCHEMBL6795153 | 0.78 | CYP19A1 (0.44) | — | |
| SCHEMBL23880198 | 0.76 | — | — | |
| SCHEMBL2308094 | 0.73 | — | — | |
| SCHEMBL30461849 | 0.71 | — | — | |
| SCHEMBL3822425 | 0.70 | CYP11B1 (1.00) | — | |
| SCHEMBL10147161 | 0.68 | CYP19A1 (0.42) | — | |
| SCHEMBL23139103 | 0.68 | CYP19A1 (0.42) | — | |
| SCHEMBL3276126 | 0.68 | — | — |
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-2016016118-A1 | MICROBIOCIDAL IMIDAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-02-04 | — | — | WO | disclosed |