⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11730502 | 1.00 | CYP2D6 (0.52) | — | |
| Hydrochloric Acid SCHEMBL10529385 | 0.98 | KMT2A (0.50) | — | |
| SCHEMBL82024 | 0.97 | — | — | |
| SCHEMBL234569 | 0.97 | — | — | |
| SCHEMBL86129 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL12076373 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL20699482 | 0.95 | CYP2D6 (0.47) | — | |
| Hydrochloric Acid SCHEMBL29464216 | 0.95 | KMT2A (0.47) | — | |
| Hydrochloric Acid SCHEMBL4717614 | 0.95 | KMT2A (0.47) | — | |
| Hydrochloric Acid SCHEMBL81889 | 0.95 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | claimed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| EP-1867654-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL | NAGOYA IND SCIENCE RES INST (JP) | 2014-06-11 | — | — | EP | 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 |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | disclosed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | disclosed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | disclosed |