SCHEMBL2553952

SCHEMBL2553952

CC(C)CCCC(C)CCOc1ccc(B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
ALOX5 P09917 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.45
RARB P10826 1/20 0.43
EPHX2 P34913 1/20 0.43
GGPS1 O95749 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ENPP2 Q13822 1/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
GSTO1 P78417 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL7135476 0.96 RARB (0.50) FDPSALOX5TDP1MAPK1RARB
SCHEMBL17825479 0.89 RARB (0.49) TDP1MAPK1RARBEPHX2CA1
SCHEMBL29953712 0.87 TDP1 (0.59) TDP1MAPK1RARBEPHX2CA1
SCHEMBL16340342 0.87 TDP1 (0.58) FDPSALOX5TDP1MAPK1RARB
SCHEMBL6857008 0.87 TDP1 (0.58) FDPSALOX5TDP1MAPK1RARB
SCHEMBL2574466 0.85 FDPS (0.47) FDPSALOX5TDP1MAPK1RARB
SCHEMBL2563645 0.83 ENPP2 (0.46) FDPSALOX5TDP1MAPK1GGPS1
SCHEMBL2557938 0.83 TDP1 (0.54) TDP1MAPK1RARBEPHX2CA1
SCHEMBL2050248 0.83 ALOX5 (0.55) FDPSALOX5TDP1MAPK1RARB
SCHEMBL2560149 0.82 RARB (0.43) TDP1MAPK1RARBEPHX2CA1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1232225-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-01 EP disclosed
EP-1029019-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS COVION ORGANIC SEMICONDUCTORS (DE) 2004-03-03 EP disclosed
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP disclosed
EP-0944663-B1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS CELANESE VENTURES GMBH (DE) 2002-03-27 EP disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
WO-2001034722-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2001-05-17 WO disclosed
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 WO disclosed