SCHEMBL3691682

SCHEMBL3691682

C=C(C)C(=O)O[PH](=O)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.33
ELANE P08246 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
SCHEMBL27710871 0.93 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL28099143 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTHRBTDP1
SCHEMBL3464476 0.83
SCHEMBL27475968 0.82 THRB (0.42) ALDH1A1TSHRTHRBHSD17B10
SCHEMBL14374070 0.81
SCHEMBL5445725 0.79 ALDH1A1 (0.37) ALDH1A1TSHRTHRBTDP1
SCHEMBL7719439 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTHRB
Butane SCHEMBL3095446 0.75 TSHR (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL335789 0.73 HSD17B10 (0.38) ALDH1A1TDP1HSD17B10
SCHEMBL4787698 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155843-A1 IMPROVEMENT OF POWER OUTPUT IN HYDRAULIC SYSTEMS Evonik RohMax Additives GmbH (DE) 2010-02-24 EP disclosed
EP-2087081-A1 IMPROVEMENT IN QUALITY CONTROL OF A FUNCTIONAL FLUID Evonik RohMax Additives GmbH (DE) 2009-08-12 EP disclosed
WO-2008148586-A1 IMPROVEMENT OF POWER OUTPUT IN HYDRAULIC SYSTEMS EVONIK ROHMAX ADDITIVES GMBH (DE) 2008-12-11 WO disclosed
EP-1987118-A1 IMPROVEMENT OF ENERGY EFFICIENCY IN HYDRAULIC SYSTEMS Evonik RohMax Additives GmbH (DE) 2008-11-05 EP disclosed
WO-2008058774-A1 IMPROVEMENT IN QUALITY CONTROL OF A FUNCTIONAL FLUID EVONIK ROHMAX ADDITIVES GMBH (DE) 2008-05-22 WO disclosed
WO-2007096011-A1 IMPROVEMENT OF ENERGY EFFICIENCY IN HYDRAULIC SYSTEMS EVONIK ROHMAX ADDITIVES GMBH (DE) 2007-08-30 WO disclosed