⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11368038 | 0.74 | — | — | |
| SCHEMBL9843006 | 0.74 | — | — | |
| SCHEMBL1640042 | 0.74 | — | — | |
| SCHEMBL11368042 | 0.74 | — | — | |
| SCHEMBL8767104 | 0.72 | — | — | |
| SCHEMBL2698088 | 0.72 | — | — | |
| SCHEMBL5788324 | 0.72 | — | — | |
| SCHEMBL11345779 | 0.69 | — | — | |
| SCHEMBL28509496 | 0.69 | — | — | |
| SCHEMBL28477827 | 0.67 | — | — |
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-2334655-A1 | IMIDAZOLE AND TRIAZOLE COMPOUNDS AS FUNGICIDES | BASF SE (DE) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010028985-A1 | IMIDAZOLE AND TRIAZOLE COMPOUNDS AS FUNGICIDES | BASF SE (DE) | 2010-03-18 | — | — | WO | disclosed |
| EP-0201042-A2 | 3alpha,5-Cyclo-22,23-dihydroxy-5alpha,steroid compounds | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1986-11-12 | — | — | EP | disclosed |