⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3103869 | 0.91 | — | — | |
| SCHEMBL3110830 | 0.91 | MEN1 (0.30) | — | |
| SCHEMBL13044069 | 0.90 | — | — | |
| SCHEMBL3109043 | 0.84 | AAK1 (0.33) | — | |
| SCHEMBL3105629 | 0.83 | AAK1 (0.32) | — | |
| SCHEMBL156805 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL29814974 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL535236 | 0.82 | — | — | |
| SCHEMBL535235 | 0.82 | — | — | |
| SCHEMBL3106096 | 0.82 | AAK1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185520-B1 | FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| US-20100256183-A1 | FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| EP-2185520-A1 | FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES | Sygenta Participations AG. (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009030469-A1 | FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERITVATIVES | SYGENTA PARTICIPATIONS AG, (CH) | 2009-03-12 | — | — | WO | disclosed |