SCHEMBL6152614

SCHEMBL6152614

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 7/20 0.42
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.35
CES1 P23141 1/20 0.34

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
SCHEMBL2137547 0.94 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL6153094 0.93 CA2 (0.50) CA2CA1NFKB1
SCHEMBL6153108 0.93 CA2 (0.50) CA2CA1NFKB1
SCHEMBL23093495 0.90 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
Silver SCHEMBL3785806 0.90 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL31412868 0.90 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL4335770 0.89 CA1 (0.47) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL6152599 0.88 CYP3A4 (0.46) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL4617592 0.86 CA2 (0.55) CA2CA1NFKB1CES1
SCHEMBL4620045 0.86 CA2 (0.55) CA2CA1NFKB1CES1

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 15 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-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