⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6500521 | 0.75 | — | — | |
| SCHEMBL162868 | 0.75 | — | — | |
| SCHEMBL1205559 | 0.70 | — | — | |
| SCHEMBL27677234 | 0.69 | — | — | |
| SCHEMBL6319087 | 0.68 | — | — | |
| SCHEMBL19527 | 0.68 | — | — | |
| SCHEMBL930869 | 0.68 | — | — | |
| SCHEMBL161216 | 0.68 | — | — | |
| SCHEMBL1685558 | 0.66 | TTR (0.37) | — | |
| SCHEMBL11776404 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576527-B1 | HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES | BAYER IP GMBH (DE) | 2016-01-20 | — | — | EP | disclosed |
| CN-1187814-A | (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof | BASF AG (DE) | 1998-07-15 | — | — | CN | disclosed |
| CN-1161687-A | Phenylacetic acid alkyl esters | BASF AG (DE) | 1997-10-08 | — | — | CN | disclosed |