⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8565475 | 1.00 | — | — | |
| SCHEMBL1526656 | 0.76 | — | — | |
| SCHEMBL18207365 | 0.72 | — | — | |
| SCHEMBL18207364 | 0.72 | — | — | |
| SCHEMBL6965549 | 0.72 | — | — | |
| SCHEMBL10652370 | 0.70 | CYP3A4 (0.38) | — | |
| SCHEMBL8570312 | 0.69 | ADAM17 (0.32) | — | |
| SCHEMBL163866 | 0.69 | — | — | |
| SCHEMBL559215 | 0.68 | — | — | |
| SCHEMBL8570135 | 0.68 | — | — |
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 |