SCHEMBL4530510

SCHEMBL4530510

CC(=O)O[C@H]([C@H](OC(C)=O)[C@H](CBr)OC(C)=O)[C@@H](CO)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ABCB1 P08183 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15496479 0.92 TDP1 (0.57) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL14747313 0.89 TDP1 (0.54) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL15892789 0.89 TDP1 (0.59) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL15892785 0.82 TDP1 (0.52) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL11288893 0.80 TDP1 (0.46) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL13893506 0.80 TDP1 (0.50) TDP1TSHRTRPV1ALOX15CHRM2
SCHEMBL1566731 0.79 TDP1 (0.46) TDP1TSHRTRPV1ALOX15
SCHEMBL1941509 0.79 TDP1 (0.46) TDP1TSHRTRPV1ALOX15
SCHEMBL16312958 0.78 TDP1 (0.81) TDP1TSHRTRPV1ALOX15ABCB1
SCHEMBL16627355 0.78 TDP1 (0.75) TDP1TSHRTRPV1ALOX15ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140295403-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-10-02 US disclosed
US-8632966-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-01-21 US disclosed
US-20130217041-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-08-22 US disclosed
US-8377686-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-02-19 US disclosed
US-20090117600-A1 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US disclosed
US-7402426-B2 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-07-22 US disclosed
EP-1539986-B1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS UNIV KINGSTON (CA) 2007-07-18 EP disclosed
EP-1539986-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS Queen's University at Kingston (CA) 2005-06-15 EP disclosed
US-20040106164-A1 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-06-03 US disclosed
WO-2004027084-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-04-01 WO disclosed