SCHEMBL888505

SCHEMBL888505

Cc1ccc(C=CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.56
RELA Q04206 1/20 0.52
CA1 P00915 1/20 0.52
CYP2A6 P11509 1/20 0.50
FBP1 P09467 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8447454 1.00 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL24768620 1.00 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL3389003 0.88 CYP3A4 (0.55) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL11212004 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
SCHEMBL11211999 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
SCHEMBL11209918 0.87 MAOB (0.42) NFE2L2RELACA1ALOX5ALDH1A1
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL318786 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.84 NFE2L2 (0.74) NFE2L2RELACA1CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692074-B2 Sulfur-linked hybrid gel compositions and aerogels thereof ASPEN AEROGELS, INC. (US) 2023-07-04 US claimed
EP-3524639-B1 VEHICLE TYRES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2020-10-07 EP claimed
US-10577473-B2 Sulfur-containing organic-inorganic hybrid gel compositions and aerogels ASPEN AEROGELS, INC. (US) 2020-03-03 US claimed
US-20170283517-A1 SULFUR-CONTAINING ORGANIC-INORGANIC HYBRID GEL COMPOSITIONS AND AEROGELS MIDCAP FUNDING IV TRUST 2017-10-05 US claimed
US-9771462-B2 Sulfur-containing organic-inorganic hybrid gel compositions and aerogels ASPEN AEROGEL, INC (US) 2017-09-26 US claimed
US-20150344663-A1 SULFUR-CONTAINING ORGANIC-INORGANIC HYBRID GEL COMPOSITIONS AND AEROGELS MIDCAP FUNDING IV TRUST 2015-12-03 US claimed
US-9133280-B2 Sulfur-containing organic-inorganic hybrid gel compositions and aerogels ASPEN AEROGELS, INC. (US) 2015-09-15 US claimed
US-20130005842-A1 SULFUR-CONTAINING ORGANIC-INORGANIC HYBRID GEL COMPOSITIONS AND AEROGELS ASPEN AEROGELS, INC. (US) 2013-01-03 US claimed
US-7638573-B2 Comprising blend of 5-95 phr high molecular weight elastomer having weight average molecular weight greater than 250000 and 5-95 phr functionalized low molecular weight elastomer having weight average molecular weight less than 150000 and intercalated clay particles; air barrier, such as innerliner, tube EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-12-29 US claimed
US-20070238822-A1 Butyl nanocomposite via low Mw elastomer pre-blend EXXONMOBIL CHEMICAL PATENTS INC. 2007-10-11 US claimed
EP-0822958-B1 HALOGENATED ELASTOMER COMPOSITIONS MONSANTO CO (US) 2001-06-20 EP claimed
US-6207764-B1 ELASTOMERIC INTERPOLYMERS CONTAINING HALOGENATED COPOLYMER OF C4-C7 ISOOLEFIN AND PARA-ALKYLSTYRENE, A CROSSLINKING AGENT AND A THIOSULFATE ACCELERATOR MONSANTO COMPANY 2001-03-27 US claimed
EP-1040163-A1 TRANSPARENT AND COLORABLE ELASTOMERIC COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 2000-10-04 EP claimed
WO-1999031178-A1 TRANSPARENT AND COLORABLE ELASTOMERIC COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1999-06-24 WO claimed
EP-0643101-B1 Curing systems for halogenated elastomers VANDERBILT CO R T (US) 1998-08-12 EP claimed
EP-0822958-A1 HALOGENATED ELASTOMER COMPOSITIONS MONSANTO COMPANY (US) 1998-02-11 EP claimed
WO-1996034043-A1 HALOGENATED ELASTOMER COMPOSITIONS MONSANTO COMPANY (US) 1996-10-31 WO claimed
EP-0643101-A1 Curing systems for halogenated elastomers R.T. VANDERBILT COMPANY, Inc. (US) 1995-03-15 EP claimed
US-5391625-A Also containing dissimilar elastomer, ethylene copolymer compatibilizer; improved heat, ozone, oil resistance EXXON CHEMICAL PATENTS INC. 1995-02-21 US claimed
US-5373062-A Containing a bismuth carboxylate EXXON CHEMICAL PATENTS INC. (US) 1994-12-13 US claimed