SCHEMBL4986946

SCHEMBL4986946

Br/C1=C(\Br)CC/C=C\CC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4986949 1.00
SCHEMBL30084792 0.96
SCHEMBL30718065 0.96
SCHEMBL5699943 0.96
SCHEMBL5699939 0.96
SCHEMBL6693116 0.96
SCHEMBL482331 0.77
Cyclooctene SCHEMBL4198806 0.72 HDAC3 (0.34)
SCHEMBL22253106 0.70
SCHEMBL14802281 0.70

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103148-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-12-14 EP disclosed
WO-2015118035-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2015-08-13 WO disclosed
EP-2903044-A1 Organic molecules for use in optoelectronic components cynora GmbH (DE) 2015-08-05 EP disclosed
US-7361771-B2 Process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide WARNER-LAMBERT COMPANY (US) 2008-04-22 US disclosed
EP-1353917-B1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-(2-((2R, 4R)-4-HYDROXY -6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER LAMBERT CO (US) 2007-03-28 EP disclosed
US-7183408-B2 Process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide WARNER-LAMBERT COMPANY, LLC (US) 2007-02-27 US disclosed
US-20070032664-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD E 2007-02-08 US disclosed
US-20070032662-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrole-3-carboxylic acid and phenylamide BUTLER DONALD E 2007-02-08 US disclosed
EP-1734034-A2 Carboxylic acid salts of beta-alanine esters or -amides Warner-Lambert Company LLC (US) 2006-12-20 EP disclosed
EP-1728785-A1 7-[(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-heptanoic acid ester 3,5-dioxo-acetal Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
EP-1724256-A2 Novel process for the synthesis of 5-(4-fluorphenyl)-1-2(2-((2r,4r)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl)-2-isopropyl-4-phenyl-1h-pyrrole-3-carboxylic acid phenylamide Warner-Lambert Company LLC (US) 2006-11-22 EP disclosed
US-20050239869-A1 Novel process for the synthesis of 5-(4-fluorophenyl)-1-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1eta-pyrrole-3-carboxylic acid phenylamide BUTLER DONALD E 2005-10-27 US disclosed
EP-1353917-A2 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-(2-((2R, 4R)-4-HYDROXY -6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER-LAMBERT COMPANY (US) 2003-10-22 EP disclosed
US-20020133026-A1 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE BUTLER DONALD EUGENE (US) 2002-09-19 US disclosed
WO-2002055519-A2 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R, 4R)-4-HYDROXY -6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER LAMBERT CO (US) 2002-07-18 WO disclosed
EP-0750601-B1 PROCESS FACILITATING THE REGENERATION OF A ZEOLITHE-BASED CATALYST IMPLEMENTED IN AN ACYLATION REACTION AND UTILIZATION RHODIA CHIMIE SA (FR) 2000-08-23 EP disclosed