⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9273653 | 0.68 | FFAR3 (0.40) | — | |
| SCHEMBL9751749 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL96532 | 0.63 | — | — | |
| SCHEMBL2437586 | 0.63 | — | — | |
| Butanone SCHEMBL28130016 | 0.60 | ALDH1A1 (0.48) | — | |
| Alcohol SCHEMBL27559936 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL29373952 | 0.57 | CES1 (0.42) | — | |
| SCHEMBL21355759 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL151311 | 0.57 | GSTP1 (0.32) | — | |
| SCHEMBL12994062 | 0.56 | — | — |
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-0077721-A1 | Cyclopropanecarboxylic-acid derivatives bearing an alkylthiocarbonyl group, their preparation, their use as parasiticides for plants, animals, and loci, and compositions containing them | ROUSSEL-UCLAF (FR) | 1983-04-27 | — | — | EP | disclosed |