⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL15057 | 0.93 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.93 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.93 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.93 | — | — | |
| Vinyl Chloride SCHEMBL7195702 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL2317673 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL15377851 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL9265617 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL21834096 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL1582623 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1880987-A1 | PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE | Sankyo Agro Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |