SCHEMBL5969151

SCHEMBL5969151

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA2 P00918 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL733389 1.00 CA1 (0.33) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL532505 1.00 CA1 (0.33) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL10977380 0.96 CA1 (0.33) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL342872 0.93 CYP3A4 (0.34) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL1230379 0.93 CYP3A4 (0.34) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL107783 0.91 CYP3A4 (0.39) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL4171117 0.91 CYP3A4 (0.39) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL6683825 0.91 CYP3A4 (0.39) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL1230462 0.89 CYP3A4 (0.34) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL10982849 0.89 CYP3A4 (0.34) CA1CYP3A4TSHRNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014200702-A1 PATTERNED MATERIALS AND METHODS OF MAKING THEM EASTMAN KODAK COMPANY (US) 2014-12-18 WO disclosed
US-20140366759-A1 PATTERNED MATERIALS AND METHODS OF MAKING THEM KODAK PHILIPPINES LTD. 2014-12-18 US disclosed
US-20140370305-A1 PATTERNABLE MATERIALS AND METHODS OF USE KODAK (NEAR EAST) INC. 2014-12-18 US disclosed
EP-1481802-B1 Directly imageable planographic printing plate precursor and a method of producing planographic printing plate TORAY INDUSTRIES (JP) 2006-09-20 EP disclosed
EP-0914942-B1 Directly imageable waterless planographic printing plate precursor and a method of producing planographic printing plates TORAY INDUSTRIES (JP) 2005-05-25 EP disclosed
EP-1481802-A1 Directly imageable planographic printing plate precursor and a method of producing planographic printing plate TORAY INDUSTRIES, INC. (JP) 2004-12-01 EP disclosed
US-6777156-B1 HIGH SENSITIVITY AND HIGH IMAGE REPRODUCIBILITY; EASILY MADE WITHOUT WATER TORAY INDUSTRIES, INC. (JP) 2004-08-17 US disclosed
US-20030228540-A1 Heat sensitive elements; organometallic compound TORAY INDUSTRIES, INC. (JP) 2003-12-11 US disclosed
EP-0914942-A2 Directly imageable waterless planographic printing plate precursor and a method of producing planographic printing plates TORAY INDUSTRIES, INC. (JP) 1999-05-12 EP disclosed