⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007831 | 1.00 | — | — | |
| SCHEMBL10702383 | 0.75 | — | — | |
| SCHEMBL17675824 | 0.73 | — | — | |
| SCHEMBL10867205 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL11013315 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL11013312 | 0.67 | — | — | |
| SCHEMBL5519822 | 0.67 | — | — | |
| SCHEMBL8596416 | 0.67 | — | — | |
| SCHEMBL8959112 | 0.66 | — | — | |
| SCHEMBL10493780 | 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-0137169-A2 | Cumalincarboxylic-acid esters, process for their preparation and agricultural fungicides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-04-17 | — | — | EP | disclosed |