⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22746947 | 1.00 | — | — | |
| SCHEMBL2611056 | 1.00 | — | — | |
| SCHEMBL727473 | 1.00 | — | — | |
| SCHEMBL2736332 | 1.00 | — | — | |
| SCHEMBL354894 | 0.88 | — | — | |
| SCHEMBL15508582 | 0.88 | — | — | |
| SCHEMBL15318526 | 0.88 | — | — | |
| SCHEMBL22430325 | 0.88 | OPRM1 (0.45) | — | |
| SCHEMBL14706848 | 0.88 | OPRM1 (0.45) | — | |
| SCHEMBL8033365 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11021466-B2 | IRE1 small molecule inhibitors | CORNELL UNIVERSITY (US) | 2021-06-01 | — | — | US | disclosed |
| US-20200157079-A1 | IRE1 Small Molecule Inhibitors | QUENTIS THERAPEUTICS, INC. (US) | 2020-05-21 | — | — | US | disclosed |
| EP-2663312-B1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS INC (US) | 2017-10-11 | — | — | EP | disclosed |
| 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 |
| EP-2186812-B1 | PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE | NIPPON SODA CO (JP) | 2013-07-03 | — | — | EP | 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 |
| EP-2186812-A1 | PRODUCTION PROCESS OF OPTICALLY ACTIVE 3-QUINUCLIDINOL DERIVATIVE | National University Corporation Hokkaido University (JP) | 2010-05-19 | — | — | EP | disclosed |