⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765730 | 0.87 | — | — | |
| SCHEMBL5806106 | 0.86 | — | — | |
| SCHEMBL31464940 | 0.82 | PRKCA (0.35) | — | |
| SCHEMBL2019930 | 0.74 | — | — | |
| SCHEMBL5806869 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL12144201 | 0.73 | — | — | |
| SCHEMBL23823002 | 0.70 | CYP3A4 (0.36) | — | |
| SCHEMBL5312736 | 0.70 | LTA4H (0.30) | — | |
| SCHEMBL16323241 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL5804097 | 0.67 | EPHX1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402955-B1 | Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers | UNIV FLORIDA (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-1979916-B1 | CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS | UNIV FLORIDA (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2402955-A1 | Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers | University of Florida Research Foundation, Incorporated (US) | 2012-01-04 | — | — | EP | disclosed |
| US-7807758-B2 | Chemical defunctionalization of polymeric alkylenedioxyheterocyclics | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20090221763-A1 | Chemical Defunctionalization of Polymeric Alkylenedioxyheterocyclics | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2009-09-03 | — | — | US | disclosed |