⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4444592 | 0.78 | — | — | |
| SCHEMBL13627823 | 0.78 | — | — | |
| SCHEMBL10827151 | 0.74 | NLRP3 (0.32) | — | |
| SCHEMBL11208718 | 0.74 | NAAA (0.41) | — | |
| SCHEMBL11032785 | 0.72 | TRPA1 (0.52) | — | |
| SCHEMBL7013045 | 0.69 | POLB (0.31) | — | |
| SCHEMBL3681706 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL18265156 | 0.63 | CES2 (0.40) | — | |
| SCHEMBL778969 | 0.63 | — | — | |
| SCHEMBL11426169 | 0.61 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |