⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40659 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL6950834 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.73 | — | — | |
| SCHEMBL295831 | 0.73 | — | — | |
| SCHEMBL3687097 | 0.71 | — | — | |
| SCHEMBL7661931 | 0.71 | — | — | |
| SCHEMBL7666124 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL11801654 | 0.70 | — | — | |
| Methyl Alcohol SCHEMBL15233825 | 0.70 | ALDH1A1 (0.53) | — | |
| SCHEMBL28791576 | 0.70 | — | — |
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-0107570-A1 | Cyclopropanecarboxylic-acid derivatives substituted at position 3 by a substituted vinyl group, process and intermediates for their preparation, their use as pesticides and compositions containing them | ROUSSEL-UCLAF (FR) | 1984-05-02 | — | — | EP | disclosed |