⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15988633 | 0.82 | TRPA1 (0.69) | — | |
| SCHEMBL7142769 | 0.78 | — | — | |
| SCHEMBL11849341 | 0.78 | — | — | |
| SCHEMBL6627157 | 0.78 | — | — | |
| SCHEMBL2379273 | 0.78 | — | — | |
| SCHEMBL4995985 | 0.77 | TRPA1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL9372749 | 0.77 | TRPA1 (0.53) | — | |
| SCHEMBL5160772 | 0.75 | CYP3A4 (0.54) | — | |
| SCHEMBL826915 | 0.75 | TRPA1 (0.66) | — | |
| SCHEMBL5802096 | 0.75 | CYP3A4 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1741693-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS | NAGOYA IND SCIENCE RES INST (JP) | 2011-08-03 | — | — | EP | disclosed |
| US-20070225528-A1 | Process for Producing Optically Active Alcohol | NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) | 2007-09-27 | — | — | US | disclosed |
| EP-1741693-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS | Nagoya Industrial Science Research Institute (JP) | 2007-01-10 | — | — | EP | disclosed |