⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22053841 | 0.81 | USP2 (0.42) | — | |
| SCHEMBL270402 | 0.78 | — | — | |
| SCHEMBL6748680 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL1246113 | 0.75 | — | — | |
| SCHEMBL10392836 | 0.74 | — | — | |
| SCHEMBL270131 | 0.74 | USP2 (0.36) | — | |
| Formic Acid SCHEMBL9578174 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL15903932 | 0.73 | GABRR1 (0.38) | — | |
| SCHEMBL269506 | 0.72 | — | — | |
| Butanol SCHEMBL18249458 | 0.70 | TSHR (0.56) | — |
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-9540392-B2 | Thienopyrimidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540392-B2 | Thienopyrimidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-01-10 | — | — | US | disclosed |
| EP-2852596-B1 | THIENOPYRIMIDINES | Bayer Pharma AG (DE) | 2016-06-22 | — | — | EP | disclosed |
| US-20150133425-A1 | THIENOPYRIMIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-14 | — | — | US | disclosed |
| US-20150133425-A1 | THIENOPYRIMIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-14 | — | — | US | disclosed |
| US-8778219-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130338389-A1 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2013-12-19 | — | — | US | disclosed |
| US-8535560-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2013-09-17 | — | — | US | disclosed |
| US-8138177-B2 | Benzimidazolone derivatives as CB2 receptor ligands | PFIZER INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20110015461-A1 | Ionic Liquids for Separation of Olefin-Paraffin Mixtures | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | US | disclosed |
| EP-1861377-B1 | BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS | PFIZER (US) | 2010-12-29 | — | — | EP | disclosed |
| US-20090181957-A1 | BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS | ANDO KAZUO | 2009-07-16 | — | — | US | disclosed |