SCHEMBL389393

SCHEMBL389393

CCCC(CC)C(CC)(CC)C(=O)[O-].CCCC(CC)C(CC)(CC)C(=O)[O-].CCCC(CC)C(CC)(CC)C(=O)[O-].CCCC[Sn+3]

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.36
CA1 P00915 5/20 0.33
NFKB1 P19838 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL15865490 0.86 CYP3A4 (0.40) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL28668097 0.86 CYP3A4 (0.40) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL17267255 0.86 CYP3A4 (0.40) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL6112942 0.86 CYP3A4 (0.40) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL10430450 0.80 CA2 (0.44) CA2CA1NFKB1GPR84
SCHEMBL7120052 0.74 CA1 (0.41) CA2CA1NFKB1GPR84
SCHEMBL23214815 0.74 CYP3A4 (0.39) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL10430600 0.73 FABP3 (0.47) NPSR1
SCHEMBL30772902 0.72 CA2 (0.37) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL423787 0.71 CHRM1 (0.39) CA2CA1NFKB1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2333001-B1 COMPOSITIONS OF POLYESTERS WITH A HIGH GLASS TRANSITION TEMPERATURE WHICH COMPRISE 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS AND ARTICLES THEREOF EASTMAN CHEM CO (US) 2018-07-25 EP disclosed
US-10017606-B2 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY (US) 2018-07-10 US disclosed
US-9765203-B2 Polyester compositions which comprise cyclobutanediol and certain thermal stabilizers, and/or reaction products thereof EASTMAN CHEMICAL COMPANY (US) 2017-09-19 US disclosed
US-20170174828-A1 POLYESTER COMPOSITIONS CONTAINING CYCLOBUTANEDIOL HAVING A CERTAIN COMBINATION OF INHERENT VISCOSITY AND MODERATE GLASS TRANSITION TEMPERATURE AND ARTICLES MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2017-06-22 US disclosed
US-9598533-B2 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY (US) 2017-03-21 US disclosed
US-20160017125-A1 POLYESTER COMPOSITIONS WHICH COMPRISE CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS, AND/OR REACTION PRODUCTS THEREOF EASTMAN CHEMICAL COMPANY (US) 2016-01-21 US disclosed
US-9169388-B2 Polyester compositions which comprise cyclobutanediol and certain thermal stabilizers, and/or reaction products thereof EASTMAN CHEMICAL COMPANY (US) 2015-10-27 US disclosed
EP-2332592-B1 Polyester compositions containing 2,2,4,4-tetramethyl-1,3-cyclobutanediol having a particular combination of inherent viscosity and moderate glass transition temperature and articles therefrom EASTMAN CHEM CO (US) 2015-09-09 EP disclosed
US-20130303692-A1 POLYESTER COMPOSITIONS CONTAINING CYCLOBUTANEDIOL HAVING A CERTAIN COMBINATION OF INHERENT VISCOSITY AND MODERATE GLASS TRANSITION TEMPERATURE AND ARTICLES MADE THEREFROM EASTMAN CHEMICAL COMPANY 2013-11-14 US disclosed
US-8507638-B2 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY (US) 2013-08-13 US disclosed
US-20090093574-A1 Polyester copolymer containing units of terephthalic acid, cyclohexanedimethanol, tetramethylcyclobutanediol, and optionally aromatic or aliphatic diacids, with phosphate ester thermal stabilizer and tin compound; fibers, films, bottles or sheets; BPA polycarbonate-free EASTMAN CHEMICAL COMPANY (US) 2009-04-09 US disclosed
US-20090093573-A1 Dicarboxylic acid component having terephthalic acid residues; optionally, aromatic dicarboxylic acid residues or aliphatic dicarboxylic acid residues high impact strengths, high glass transition temperature, toughness, certain inherent viscosities, low ductile-to-brittle transition temperatures EASTMAN CHEMICAL COMPANY (US) 2009-04-09 US disclosed
US-20080293882-A1 Polyester Compositions Which Comprise Cyclobutanediol and Certain Thermal Stabilizers, and/or Reaction Products Thereof EASTMAN CHEMICAL COMPANY (US) 2008-11-27 US disclosed
US-20080293857-A1 Polyester Compositions Containing Cyclobutanediol Having a Certain Combination of Inherent Viscosity and Moderate Glass Transition Temperature and Articles Made Therefrom EASTMAN CHEMICAL COMPANY (US) 2008-11-27 US disclosed
US-20070129531-A1 Polyester compositions which comprise cyclobutanediol and certain phosphate thermal stabilizers, and/or reaction products thereof EASTMAN CHEMICAL COMPANY 2007-06-07 US disclosed
US-20070105993-A1 Polyester compositions which comprise cyclobutanediol and at least one phosphorus compound EASTMAN CHEMICAL COMPANY 2007-05-10 US disclosed
US-20070106054-A1 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and high glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY 2007-05-10 US disclosed
US-20070100125-A1 Polyester compositions comprising minimal amounts of cyclobutanediol EASTMAN CHEMICAL COMPANY 2007-05-03 US disclosed
US-20070100122-A1 Polyester compositions containing cyclobutanediol and articles made therefrom EASTMAN CHEMICAL COMPANY 2007-05-03 US disclosed
US-4656241-A Method for producing polybutylene terephthalate TORAY INDUSTRIES INCORPORATED (JP) 1987-04-07 US disclosed