⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3110539 | 0.92 | — | — | |
| SCHEMBL3105032 | 0.90 | AAK1 (0.31) | — | |
| SCHEMBL3109074 | 0.90 | — | — | |
| SCHEMBL3108594 | 0.90 | — | — | |
| SCHEMBL3108398 | 0.88 | — | — | |
| SCHEMBL3112112 | 0.85 | — | — | |
| SCHEMBL3100689 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL14859698 | 0.84 | — | — | |
| SCHEMBL12181887 | 0.84 | — | — | |
| SCHEMBL3103854 | 0.82 | AAK1 (0.32) | — |
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 2 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 |