⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11689457 | 0.72 | — | — | |
| SCHEMBL23923773 | 0.69 | — | — | |
| SCHEMBL4052206 | 0.69 | — | — | |
| SCHEMBL5494866 | 0.67 | — | — | |
| SCHEMBL34464977 | 0.65 | — | — | |
| SCHEMBL809080 | 0.64 | — | — | |
| SCHEMBL5565941 | 0.64 | — | — | |
| SCHEMBL809089 | 0.64 | — | — | |
| SCHEMBL688566 | 0.64 | — | — | |
| SCHEMBL10971691 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4320144-A | Fungicidal use of diphenyl esters of alkylenes | GAF CORPORATION (US) | 1982-03-16 | — | — | US | disclosed |