⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28540155 | 0.87 | — | — | |
| SCHEMBL3419268 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL436147 | 0.87 | — | — | |
| SCHEMBL7925883 | 0.87 | — | — | |
| SCHEMBL17511081 | 0.87 | MEN1 (0.34) | — | |
| SCHEMBL7925885 | 0.87 | — | — | |
| SCHEMBL5853620 | 0.87 | MEN1 (0.34) | — | |
| SCHEMBL10325858 | 0.87 | MEN1 (0.34) | — | |
| SCHEMBL22289001 | 0.87 | — | — | |
| SCHEMBL437147 | 0.87 | MEN1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2418197-B1 | PROCESS FOR PRODUCING 3-(2-CYANO-1-PROPENYL)-2,2- DIMETHYLCYCLOPROPANECARBOXYLIC ACID OR SALT THEREOF | SUMITOMO CHEMICAL CO (JP) | 2014-05-07 | — | — | EP | disclosed |
| US-8461370-B2 | Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| EP-2418197-A1 | PROCESS FOR PRODUCING 3-(2-CYANO-1-PROPENYL)-2,2- DIMETHYLCYCLOPROPANECARBOXYLIC ACID OR SALT THEREOF | Sumitomo Chemical Company, Limited (JP) | 2012-02-15 | — | — | EP | disclosed |
| US-20120016150-A1 | Process for Producing 3-(2-Cyano-1-propenyl)-2,2- Dimethylcyclopropanecarboxylic Acid or Salt Thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-01-19 | — | — | US | disclosed |