SCHEMBL473252

SCHEMBL473252

Cc1cc(C)cc([B-](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
ACHE P22303 2/20 0.37
TPMT P51580 1/20 0.35
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
C1S P09871 1/20 0.33
PRSS3 P35030 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31

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
Lithium Ion SCHEMBL132330 0.97 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTSELL
SCHEMBL133867 0.97 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTSELL
Potassium Ion SCHEMBL135861 0.97 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTSELL
SCHEMBL29109061 0.88 ALDH1A1 (0.36) ALDH1A1TSHRACHE
SCHEMBL5909751 0.84 ACHE (0.41) ALDH1A1TSHRACHETPMTTDP1
SCHEMBL8452416 0.82 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL20080910 0.78 RAPGEF4 (0.39) ACHERAPGEF4
Butylamine SCHEMBL1077641 0.76 DNM1 (0.37)
SCHEMBL135993 0.76 ACHE (0.35) ALDH1A1TSHRACHE
SCHEMBL19668955 0.76 RAPGEF4 (0.43) RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983162-B2 Method and device for detection of bioavailable drug concentration THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US claimed
EP-3239190-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2017-11-01 EP claimed
EP-2235069-B1 NANO-LINKED METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL CO (US) 2015-11-25 EP claimed
EP-2231717-B1 NANO-LINKED METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL CO (US) 2015-10-21 EP claimed
US-20150119848-A1 METHOD AND DEVICE FOR DETECTION OF BIOAVAILABLE DRUG CONCENTRATION THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-04-30 US claimed
EP-2856133-A1 IMPROVED METHOD AND DEVICE FOR DETECTION OF BIOAVAILABLE DRUG CONCENTRATION The University of Tennessee Research Foundation (US) 2015-04-08 EP claimed
EP-2231716-B1 NANO-LINKED METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL CO (US) 2014-04-16 EP claimed
WO-2013180814-A1 IMPROVED METHOD AND DEVICE FOR DETECTION OF BIOAVAILABLE DRUG CONCENTRATION THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-12-05 WO claimed
CN-101400709-B Polymerization catalysts for producing polymers with low levels of long chain branching CHEVRON PHILLIPS CHEMICAL CO 2012-07-18 CN claimed
EP-1711543-B1 CATALYST COMPOSITIONS AND POLYOLEFINS FOR EXTRUSION COATING APPLICATIONS CHEVRON PHILLIPS CHEMICAL CO (US) 2011-08-24 EP claimed
EP-1773899-B1 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL CO (US) 2009-02-11 EP claimed
EP-1773899-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2007-04-18 EP claimed
WO-2006004789-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-01-12 WO claimed
JP-2004507625-A 2004-03-11 JP claimed
EP-1315858-A1 POLYPROPYLENE FIBERS AND FABRICS Exxonmobil Chemical Patents Inc. (US) 2003-06-04 EP claimed
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US claimed
WO-2002016681-A1 POLYPROPYLENE FIBERS AND FABRICS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-02-28 WO claimed
US-6313240-B1 ETHYLENE IS COPOLYMERIZED WITH AN .ALPHA.-OLEFIN HAVING THREE OR MORE CARBONS BY USE OF AN OLEFIN POLYMERIZATION CATALYST COMPRISING HAFNIUM METALLOCENE COMPOUND, IONIZING COMPOUND, OGRANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2001-11-06 US claimed
US-6222081-B1 ADDING CATALYST BIS-CYCLOPENTADIENYL TANSITION METAL COMOUND AND COCATALYST TO ETHYLENE COPOLYMERS OBTAINED BY POLYMERIZING ETHYLENE AND ALPHA OLEFIN MONOMERS FOR DECREASING COLD FILTER PLUGGING POINT OF MIDDLE DISTILLATES SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.R.L. (IT) 2001-04-24 US claimed
EP-0482934-B1 Use of heterocycle borate metal complexes as coordination polymerization catalysts DOW CHEMICAL CO (US) 1997-03-26 EP claimed