⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8533169 | 0.88 | OGA (0.32) | — | |
| SCHEMBL11669546 | 0.88 | OGA (0.32) | — | |
| SCHEMBL3547731 | 0.88 | OGA (0.32) | — | |
| SCHEMBL3207681 | 0.87 | OGA (0.34) | — | |
| SCHEMBL14312202 | 0.84 | ABCB1 (0.32) | — | |
| SCHEMBL4617635 | 0.83 | ABCB1 (0.30) | — | |
| SCHEMBL812463 | 0.78 | ABCB1 (0.31) | — | |
| SCHEMBL9452989 | 0.77 | ABCB1 (0.32) | — | |
| SCHEMBL813499 | 0.77 | — | — | |
| SCHEMBL11759427 | 0.71 | OGA (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1516874-B1 | Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation | DOW AGROSCIENCES LLC (US) | 2015-08-19 | — | — | EP | disclosed |