⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2782632 | 0.93 | THRB (0.32) | — | |
| SCHEMBL7720522 | 0.86 | TRPA1 (0.31) | — | |
| SCHEMBL24425932 | 0.83 | — | — | |
| SCHEMBL15507862 | 0.83 | — | — | |
| SCHEMBL8232754 | 0.83 | — | — | |
| SCHEMBL22551561 | 0.79 | CA1 (0.33) | — | |
| Bromide SCHEMBL8023669 | 0.79 | — | — | |
| SCHEMBL21254353 | 0.77 | IDO1 (0.31) | — | |
| SCHEMBL20776159 | 0.77 | — | — | |
| SCHEMBL13210368 | 0.77 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759524-B2 | Production process of optically active 3-quinuclidinol derivative | NIPPON SODA CO., LTD. (JP) | 2014-06-24 | — | — | US | disclosed |
| US-20130225824-A1 | PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE | NIPPON SODA CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| US-8436181-B2 | Production process of optically active 3-quinuclidinol derivative | NIPPON SODA CO., LTD. (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20100174081-A1 | PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2010-07-08 | — | — | US | disclosed |