SCHEMBL6152599

SCHEMBL6152599

CCC(C(C)=O)C(=O)[O-].CCCC(C(C)=O)C(=O)[O-].CCCC(C(C)=O)C(=O)[O-].[Al+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.36
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC8 Q9BY41 3/20 0.31
FFAR3 O14843 2/20 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
SCHEMBL2139314 0.94 NFKB1 (0.52) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL8152736 0.89 NFKB1 (0.52) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL207912 0.89 NFKB1 (0.52) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL17106132 0.89 NFKB1 (0.52) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL8680197 0.89 NFKB1 (0.52) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL4171117 0.89 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6683825 0.89 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL107783 0.89 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6152614 0.88 CA2 (0.50) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL11073494 0.88 TSHR (0.46) CYP3A4TSHRNFKB1NPSR1CA2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3267255-B1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE USING SAME, AND METHOD FOR PRODUCING PRINTED MATTER TORAY INDUSTRIES (JP) 2023-07-12 EP disclosed
WO-2023026776-A1 WATERLESS PLANOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING WATERLESS PLANOGRAPHIC PRINTING PLATE, METHOD FOR SORTING WATERLESS PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR PRODUCING PRINTED MATERIAL 東レ株式会社 2023-03-02 WO disclosed
EP-3783435-B1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR MANUFACTURING PRINTS USING SAME TORAY INDUSTRIES (JP) 2022-02-09 EP disclosed
US-20210206189-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR MANUFACTURING PRINTS USING SAME TORAY INDUSTRIES, INC. (JP) 2021-07-08 US disclosed
EP-3783435-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR MANUFACTURING PRINTS USING SAME Toray Industries, Inc. (JP) 2021-02-24 EP disclosed
EP-2624053-B1 DIRECT DRAWING-TYPE WATERLESS LITHOGRAPHIC PRINTING ORIGINAL PLATE TORAY INDUSTRIES (JP) 2019-02-06 EP disclosed
US-20180043678-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE USING SAME, AND METHOD FOR PRODUCING PRINTED MATTER TORAY INDUSTRIES, INC. (JP) 2018-02-15 US disclosed
EP-3267255-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE USING SAME, AND METHOD FOR PRODUCING PRINTED MATTER Toray Industries, Inc. (JP) 2018-01-10 EP disclosed
EP-3219504-A1 WATERLESS PLANOGRAPHIC PRINTING ORIGINAL PLATE, AND METHOD FOR MANUFACTURING PRINTED MATTER USING WATERLESS PLANOGRAPHIC PRINTING PLATE Toray Industries, Inc. (JP) 2017-09-20 EP disclosed
US-20170232775-A1 WATERLESS PRINTING PLATE PRECURSOR, AND METHOD FOR MANUFACTURING PRINTED MATTER USING WATERLESS PRINTING PLATE TORAY INDUSTRIES, INC. (JP) 2017-08-17 US disclosed
US-9164378-B2 Direct drawing-type waterless lithographic printing original plate TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
EP-2667251-A1 ORIGINAL PLATE FOR DIRECT-PATTERN WATERLESS PLANOGRAPHIC PRINTING PLATE Toray Industries, Inc. (JP) 2013-11-27 EP disclosed
US-20130298794-A1 DIRECTLY IMAGEABLE WATERLESS LITHOGRAPHIC PRINTING PLATE PRECURSOR TORAY INDUSTRIES, INC. (JP) 2013-11-14 US disclosed
US-20130273473-A1 DIRECT DRAWING-TYPE WATERLESS LITHOGRAPHIC PRINTING ORIGINAL PLATE TORAY INDUSTRIES, INC. (JP) 2013-10-17 US disclosed
EP-2624053-A1 DIRECT DRAWING-TYPE WATERLESS LITHOGRAPHIC PRINTING ORIGINAL PLATE Toray Industries, Inc. (JP) 2013-08-07 EP disclosed
EP-1038669-B1 Method of producing directly imageable waterless planographic printing plate TORAY INDUSTRIES (JP) 2005-01-26 EP disclosed
US-6284433-B1 IMAGEWISELY IRRADIATING PRECURSOR OF PRINTING PLATE WITH LASER BEAM, PRE-TREATING PRECURSOR WITH GLYCOL COMPOUND AND/OR A GLYCOL ETHER COMPOUND; REMOVING INK REPELLENT LAYER WHEREIN HEAT SENSITIVE LAYER IS PARTIALLY LEFT ON PRINTING PLATE TORAY INDUSTRIES, INC. (JP) 2001-09-04 US disclosed
EP-1038669-A1 Method of producing directly imageable waterless planographic printing plate TORAY INDUSTRIES, INC. (JP) 2000-09-27 EP disclosed