⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10976432 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL10679586 | 0.82 | — | — | |
| SCHEMBL8759313 | 0.82 | HMGCR (0.39) | — | |
| SCHEMBL11343817 | 0.80 | — | — | |
| SCHEMBL11485787 | 0.79 | CTSD (0.32) | — | |
| SCHEMBL8759203 | 0.78 | — | — | |
| SCHEMBL11494463 | 0.78 | — | — | |
| SCHEMBL8759826 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL11343353 | 0.77 | CYP2D6 (0.30) | — | |
| SCHEMBL11495682 | 0.76 | PIK3CD (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4216162-A | Novel derivatives of cyclopropanecarboxylic acid useful as intermediates for the preparation of insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |
| EP-0000390-A1 | Derivatives of 2-(2,2-Dihalogenvinyl)-3,3-dimethyl-cyclopropane carboxylic acid and process for preparing them | BAYER AG (DE) | 1979-01-24 | — | — | EP | disclosed |