⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1929947 | 1.00 | — | — | |
| SCHEMBL1929423 | 0.92 | — | — | |
| SCHEMBL1929425 | 0.92 | — | — | |
| SCHEMBL1929924 | 0.77 | — | — | |
| SCHEMBL1929926 | 0.77 | — | — | |
| SCHEMBL6751260 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL6751259 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL6751262 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL14627396 | 0.69 | — | — | |
| SCHEMBL14627397 | 0.69 | — | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8357718-B2 | N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-01-22 | — | — | US | claimed |
| US-8829030-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2014-09-09 | — | — | US | disclosed |
| US-8674118-B2 | Compounds and methods for the treatment or prevention of flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-18 | — | — | US | disclosed |
| US-20130096106-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-04-18 | — | — | US | disclosed |
| US-8357718-B2 | N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-01-22 | — | — | US | disclosed |
| EP-2546246-A2 | Compounds and methods for the treatment or prevention of flavivirus infections | Virochem Pharma Inc. (CA) | 2013-01-16 | — | — | EP | disclosed |
| EP-2543664-A1 | Compounds and methods for the treatment or prevention of flavivirus infections | Virochem Pharma Inc. (CA) | 2013-01-09 | — | — | EP | disclosed |
| US-20120164103-A1 | Compounds and Methods for the Treatment or Prevention of Flavivirus Infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-06-28 | — | — | US | disclosed |
| US-8158675-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-04-17 | — | — | US | disclosed |
| US-8003699-B2 | Amide compound and use thereof for controlling plant diseases | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-08-23 | — | — | US | disclosed |
| EP-1737857-A1 | PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-01-03 | — | — | EP | disclosed |
| US-20060276533-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2006-12-07 | — | — | US | disclosed |
| WO-2006119646-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2006-11-16 | — | — | WO | disclosed |
| US-20060106020-A1 | Tetracyclic inhibitors of Janus kinases | INCYTE CORPORATION | 2006-05-18 | — | — | US | disclosed |
| EP-1569929-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS | Virochem Pharma Inc. (CA) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005058892-A1 | PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-06-30 | — | — | WO | disclosed |
| US-20050009804-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2005-01-13 | — | — | US | disclosed |
| WO-2003095438-A9 | SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2004-12-23 | — | — | WO | disclosed |
| WO-2004052885-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2004-06-24 | — | — | WO | disclosed |
| EP-0074170-B1 | CHROMAN COMPOUNDS, PROCESS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1985-10-16 | — | — | EP | disclosed |