⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11985906 | 0.75 | — | — | |
| SCHEMBL29034889 | 0.75 | — | — | |
| SCHEMBL27979334 | 0.75 | — | — | |
| SCHEMBL19426087 | 0.75 | — | — | |
| SCHEMBL13823623 | 0.75 | — | — | |
| SCHEMBL18791081 | 0.71 | — | — | |
| SCHEMBL21603318 | 0.71 | — | — | |
| SCHEMBL26287526 | 0.68 | KDM4E (0.42) | — | |
| SCHEMBL21938400 | 0.68 | — | — | |
| SCHEMBL2489829 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2643312-B1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-09-10 | — | — | EP | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| WO-2012069633-A1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |