⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL558374 | 0.76 | — | — | |
| SCHEMBL11109936 | 0.71 | — | — | |
| SCHEMBL533497 | 0.67 | — | — | |
| SCHEMBL3935961 | 0.67 | — | — | |
| SCHEMBL11107798 | 0.66 | PLA2G7 (0.37) | — | |
| SCHEMBL8045133 | 0.65 | HPGD (0.39) | — | |
| SCHEMBL9414589 | 0.65 | DDAH1 (0.50) | — | |
| SCHEMBL467077 | 0.64 | — | — | |
| SCHEMBL726340 | 0.64 | — | — | |
| SCHEMBL13554377 | 0.64 | — | — |
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-0586393-B1 | SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES | ZENECA LTD (GB) | 1998-06-17 | — | — | EP | claimed |
| US-5439910-A | For applying to plants, seeds or soils | ZENECA LIMITED (GB) | 1995-08-08 | — | — | US | claimed |