⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL558267 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL4630552 | 0.77 | — | — | |
| SCHEMBL8569786 | 0.74 | GABRP (0.35) | — | |
| SCHEMBL1526656 | 0.64 | — | — | |
| SCHEMBL17495689 | 0.64 | KDM4E (0.37) | — | |
| SCHEMBL8570135 | 0.64 | — | — | |
| SCHEMBL8565478 | 0.62 | — | — | |
| SCHEMBL8565475 | 0.62 | — | — | |
| SCHEMBL15475790 | 0.61 | CA12 (0.33) | — | |
| SCHEMBL1199660 | 0.61 | — | — |
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-0586393-B1 | SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES | ZENECA LTD (GB) | 1998-06-17 | — | — | EP | disclosed |