⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3108594 | 0.91 | — | — | |
| SCHEMBL3100689 | 0.90 | MEN1 (0.31) | — | |
| SCHEMBL3110539 | 0.90 | — | — | |
| SCHEMBL3111891 | 0.89 | — | — | |
| SCHEMBL3096817 | 0.88 | — | — | |
| SCHEMBL12181879 | 0.88 | PTPN7 (0.30) | — | |
| SCHEMBL3725945 | 0.88 | PARP1 (0.35) | — | |
| SCHEMBL14860295 | 0.87 | PARP1 (0.31) | — | |
| SCHEMBL3726300 | 0.87 | PARP1 (0.31) | — | |
| SCHEMBL14763141 | 0.83 | — | — |
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 |