⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27878705 | 0.89 | — | — | |
| SCHEMBL7968390 | 0.89 | FFAR3 (0.38) | — | |
| SCHEMBL19388302 | 0.88 | FFAR3 (0.39) | — | |
| SCHEMBL22550126 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL12883183 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL15125159 | 0.83 | FFAR3 (0.33) | — | |
| SCHEMBL25599793 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL19315867 | 0.81 | CYP19A1 (0.38) | — | |
| SCHEMBL16887657 | 0.81 | POLB (0.34) | — | |
| SCHEMBL16887674 | 0.81 | OPRM1 (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140323418-A1 | SELECTIVE KINASE INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2014-10-30 | — | — | US | disclosed |
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-8455532-B2 | Pyrazolyl acrylonitrile compounds and uses thereof | SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) | 2013-06-04 | — | — | US | disclosed |
| US-8362020-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-29 | — | — | US | disclosed |
| CN-101668524-B | Pyrazole derivatives as 11-beta-HSD 1 inhibitors | ASTRAZENECA AB | 2012-10-24 | — | — | CN | disclosed |
| CN-102503891-A | Pyrazole derivatives as 11-beta-hsd1 inhibitors | ASTRAZENECA AB | 2012-06-20 | — | — | CN | disclosed |
| CN-102066335-A | Substituted pyrimidin-5-carboxamides 281 | ASTRAZENECA AB | 2011-05-18 | — | — | CN | disclosed |
| US-20110039827-A1 | Substituted hydroxamic acids and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-02-17 | — | — | US | disclosed |
| US-20100228026-A1 | NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-09-09 | — | — | US | disclosed |
| US-7678829-B2 | Oculoselective drugs and prodrugs | QLT INC. (CA) | 2010-03-16 | — | — | US | disclosed |
| CN-101668524-A | Pyrazole derivatives as 11-beta-HSD 1 inhibitors | ASTRAZENECA AB | 2010-03-10 | — | — | CN | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| WO-2009073713-A1 | OXIMYL MACROCYCLIC DERIVATIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-11 | — | — | WO | disclosed |
| US-20070254950-A1 | Oculoselective Drugs and Prodrugs | OTHERA PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | US | disclosed |