⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1620966 | 0.76 | — | — | |
| SCHEMBL28212809 | 0.74 | LMNA (0.41) | — | |
| SCHEMBL12170287 | 0.73 | — | — | |
| SCHEMBL11316710 | 0.73 | HSD17B10 (0.45) | — | |
| SCHEMBL25470756 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3565750 | 0.71 | HSD17B10 (0.44) | — | |
| SCHEMBL31105800 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL14182015 | 0.70 | NPSR1 (0.38) | — | |
| SCHEMBL17627325 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL1441268 | 0.69 | KCNH3 (0.41) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8969386-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-03 | — | — | US | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7754739-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-13 | — | — | US | disclosed |
| US-20100087435-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-08 | — | — | US | disclosed |
| US-7659268-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090306079-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION | 2009-12-10 | — | — | US | disclosed |
| US-20080286204-A1 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED | 2008-11-20 | — | — | US | disclosed |
| EP-1274746-B1 | SINGLE-SITE CATALYSTS CONTAINING CHELATING N-OXIDE LIGANDS | EQUISTAR CHEM LP (US) | 2008-08-20 | — | — | EP | disclosed |
| US-20080019915-A1 | including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-24 | — | — | US | disclosed |
| EP-1818325-A2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-6875829-B2 | Single-site catalysts containing chelating N-oxide ligands | EQUISTAR CHEMICALS, LP (US) | 2005-04-05 | — | — | US | disclosed |
| US-20030032744-A1 | Single-site catalysts containing chelating N-oxide ligands | EQUISTAR CHEMICALS, L.P. | 2003-02-13 | — | — | US | disclosed |
| EP-1274746-A1 | SINGLE-SITE CATALYSTS CONTAINING CHELATING N-OXIDE LIGANDS | Equistar Chemicals L.P. (US) | 2003-01-15 | — | — | EP | disclosed |
| US-6498221-B1 | OLEFIN POLYMERIZATION CATALYST COMPRISING AN ACTIVATOR AND AN ORGANOMETALLIC COMPLEX; HIGHER ACTIVITY; NARROW MOLECULAR WEIGHT DISTRIBUTION; UNIFORM COMONOMER INCORPORATION | EQUISTAR CHEMICALS, LP | 2002-12-24 | — | — | US | disclosed |
| WO-2001074914-A1 | SINGLE-SITE CATALYSTS CONTAINING CHELATING N-OXIDE LIGANDS | EQUISTAR CHEMICALS, L.P. (US) | 2001-10-11 | — | — | WO | disclosed |