⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8605483 | 0.65 | — | — | |
| SCHEMBL1358962 | 0.65 | — | — | |
| SCHEMBL1467334 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL9300246 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL1359150 | 0.62 | — | — | |
| SCHEMBL30494369 | 0.62 | — | — | |
| SCHEMBL18006217 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9684003 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL9682996 | 0.60 | — | — | |
| SCHEMBL31295825 | 0.60 | — | — |
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-0551035-A1 | 3-(but-1-en-3-ynyl)-2,2-dimethylcyclopropanecarboxylic acid derivatives, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1993-07-14 | — | — | EP | disclosed |