⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL28262895 | 0.93 | — | — | |
| Butadiene SCHEMBL4444276 | 0.93 | — | — | |
| Butadiene SCHEMBL250 | 0.91 | — | — | |
| Butadiene SCHEMBL11854764 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.91 | — | — | |
| Butadiene SCHEMBL10457929 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL23406461 | 0.83 | — | — | |
| Butadiene SCHEMBL3319970 | 0.83 | — | — | |
| Butadiene SCHEMBL3122214 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101151234-B | Process for producing cyclopropylphenol derivative | SANKYO AGRO CO LTD | 2011-06-15 | — | — | CN | disclosed |
| US-7629494-B2 | Process for producing cyclopropylphenol derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20090054681-A1 | Production Process of cyclopropylphenol derivatives | SANKYO AGRO COMPANY, LIMITED (JP) | 2009-02-26 | — | — | US | disclosed |
| CN-101151234-A | Process for producing cyclopropylphenol derivative | SANKYO AGRO CO LTD (JP) | 2008-03-26 | — | — | CN | disclosed |
| EP-1880987-A1 | PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE | Sankyo Agro Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |