⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL684388 | 0.87 | — | — | |
| SCHEMBL1564865 | 0.77 | — | — | |
| Fluoride SCHEMBL27851899 | 0.73 | — | — | |
| SCHEMBL8471500 | 0.71 | KDM4E (0.31) | — | |
| Fluoride SCHEMBL27550288 | 0.70 | — | — | |
| SCHEMBL28111843 | 0.69 | — | — | |
| Fluoride SCHEMBL27727158 | 0.69 | — | — | |
| SCHEMBL9766049 | 0.69 | — | — | |
| SCHEMBL5279 | 0.69 | — | — | |
| SCHEMBL21841428 | 0.69 | ALDH1A1 (0.44) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9206195-B2 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-9206195-B2 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-12-08 | — | — | US | disclosed |
| US-8865716-B2 | Dihydropteridinones II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| US-8865716-B2 | Dihydropteridinones II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| US-20130225593-A1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-29 | — | — | US | disclosed |
| US-20130225593-A1 | DIHYDROPTERIDINONES II | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-29 | — | — | US | disclosed |
| US-20130196988-A1 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-01 | — | — | US | disclosed |
| US-20130196988-A1 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-01 | — | — | US | disclosed |
| WO-2013020992-A1 | DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-02-14 | — | — | WO | disclosed |
| EP-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |
| US-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2012-01-19 | — | — | US | disclosed |
| US-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2012-01-19 | — | — | US | disclosed |
| US-8039480-B2 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2011-10-18 | — | — | US | disclosed |
| US-20090275523-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2009-11-05 | — | — | US | disclosed |