⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10286253 | 0.91 | GRM5 (0.30) | — | |
| SCHEMBL10286255 | 0.83 | — | — | |
| SCHEMBL10287307 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL10271150 | 0.81 | L3MBTL1 (0.34) | — | |
| SCHEMBL10286252 | 0.80 | — | — | |
| SCHEMBL10271163 | 0.79 | L3MBTL1 (0.33) | — | |
| SCHEMBL10286249 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL10287012 | 0.77 | — | — | |
| SCHEMBL10287004 | 0.76 | HKDC1 (0.33) | — | |
| SCHEMBL14884929 | 0.76 | MAOA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130102631-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-25 | — | — | US | disclosed |
| US-20130102631-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-25 | — | — | US | disclosed |
| WO-2012001040-A1 | NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-05 | — | — | WO | disclosed |