⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19386283 | 0.64 | — | — | |
| SCHEMBL19386284 | 0.64 | — | — | |
| SCHEMBL731594 | 0.63 | — | — | |
| SCHEMBL12589 | 0.62 | — | — | |
| SCHEMBL3622540 | 0.61 | TRPA1 (0.30) | — | |
| SCHEMBL21141616 | 0.61 | — | — | |
| SCHEMBL21141615 | 0.61 | — | — | |
| SCHEMBL9815818 | 0.60 | — | — | |
| SCHEMBL5868539 | 0.59 | CRBN (0.31) | — | |
| SCHEMBL30992154 | 0.59 | CRBN (0.31) | — |
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-0050019-A1 | 3-Keto-4-(4'-aromatically substituted-phenoxy) compounds, their 3- alkylated enol and 2,3-hydrogenated derivatives and the use thereof for the control of weeds | SANDOZ AG (CH) | 1982-04-21 | — | — | EP | claimed |