⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9051613 | 0.68 | — | — | |
| SCHEMBL2414458 | 0.68 | — | — | |
| SCHEMBL2415848 | 0.64 | ALOX12 (0.33) | — | |
| SCHEMBL10594430 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL16409291 | 0.61 | CHRM2 (0.51) | — | |
| SCHEMBL3411104 | 0.61 | — | — | |
| SCHEMBL9727935 | 0.61 | — | — | |
| SCHEMBL9422728 | 0.61 | — | — | |
| SCHEMBL10855483 | 0.61 | TDP1 (0.35) | — | |
| SCHEMBL16409360 | 0.60 | CRHBP (0.38) | — |
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-0405240-B1 | USE OF SUBSTITUTED BIS-AZOLYL DERIVATIVES FOR THE CONTROL OF FUNGI IN PLANT PROTECTION | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |
| US-5096913-A | Phytophaphogenic | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | disclosed |
| EP-0405240-A1 | Use of substituted bis-azolyl derivatives for the control of fungi in plant protection | BAYER AG (DE) | 1991-01-02 | — | — | EP | disclosed |