⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4378183 | 0.86 | GAA (0.30) | — | |
| SCHEMBL4372910 | 0.83 | — | — | |
| SCHEMBL4374396 | 0.83 | RIPK1 (0.36) | — | |
| SCHEMBL4368225 | 0.82 | TSHR (0.34) | — | |
| SCHEMBL4374392 | 0.81 | ACHE (0.32) | — | |
| SCHEMBL4381031 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL4371647 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL4376388 | 0.77 | RIPK1 (0.37) | — | |
| SCHEMBL4370027 | 0.76 | ACHE (0.35) | — | |
| SCHEMBL4378372 | 0.75 | GAA (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1867654-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL | NAGOYA IND SCIENCE RES INST (JP) | 2014-06-11 | — | — | EP | claimed |
| EP-1867654-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL | NAGOYA IND SCIENCE RES INST (JP) | 2014-06-11 | — | — | EP | disclosed |
| EP-2623509-A1 | Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex | Kanto Kagaku Kabushiki Kaisha (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-20130197234-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2013-08-01 | — | — | US | disclosed |
| US-8212037-B2 | Process for production of optically active quinuclidinols | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090216019-A1 | Process for Production of Optically Active Quinuclidinols | KANTO KAGAKU KABUSHIKI KAISHA | 2009-08-27 | — | — | US | disclosed |
| EP-1867654-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL | Nagoya Industrial Science Research Institute (JP) | 2007-12-19 | — | — | EP | disclosed |
| EP-1323724-B1 | Ruthenium complexes and process for preparing alcoholic compounds using these | KANTO KAGAKU (JP) | 2007-03-14 | — | — | EP | disclosed |