SCHEMBL4593744

SCHEMBL4593744

C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL24963 0.98 TSHR (0.52) THRBTSHRALDH1A1POLBAPEX1
Propane SCHEMBL8440363 0.95 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4640880 0.93 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23573051 0.91 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11585380 0.91 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
1,4-Butanediol SCHEMBL1225181 0.90 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7738340 0.89 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10603114 0.89 TSHR (0.60) THRBTSHRALDH1A1POLBAPEX1
Di(Hydroxyethyl)Ether SCHEMBL3749044 0.89 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8523214 0.87 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2530523-A1 POLYMERIZABLE COMPOSITION FOR SOLDER RESIST, AND SOLDER RESIST PATTERN FORMATION METHOD FUJIFILM Corporation (JP) 2012-12-05 EP disclosed
EP-1872942-A2 Lithographic printing plate precursor and lithographic printing method FUJIFILM Corporation (JP) 2008-01-02 EP disclosed
US-20050118477-A1 Proton conducting electrolyte membrane having reduced methanol permeability and the use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2005-06-02 US disclosed
US-6479207-B1 COMPONENT LAYER CONTAINS A PARTICLE COMPRISING AN ORGANIC PARTICLE CORE COVERED WITH A MATERIAL CONTAINING A LIGHT-HEAT CONVERSION MATERIAL KONICA CORPORATION (JP) 2002-11-12 US disclosed
US-20020117066-A1 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2002-08-29 US disclosed
EP-0373652-B1 Method of heat-fixing toner image CANON KK (JP) 1995-09-13 EP disclosed
EP-0373652-A2 Method of heat-fixing toner image CANON KABUSHIKI KAISHA (JP) 1990-06-20 EP disclosed