SCHEMBL4747317

SCHEMBL4747317

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.56
NAAA Q02083 1/20 0.53
DGKA P23743 1/20 0.53
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
DNM1 Q05193 1/20 0.45
THRB P10828 2/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL276446 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL13446682 0.92 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL10030735 0.90 DGKA (0.68) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL13777750 0.90 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL11233083 0.90 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL10426125 0.89 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL13779732 0.89 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDNAAA
SCHEMBL19165635 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL19627098 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL12225909 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177897-B2 Phase change inks containing graphene-based carbon allotrope colorants XEROX CORPORATION (US) 2012-05-15 US disclosed
US-7954430-B2 Underside curing of radiation curable inks XEROX CORPORATION (US) 2011-06-07 US disclosed
US-20100227075-A1 GLOSS CONTROL OF UV CURABLE FORMULATIONS THROUGH MICRO-PATTERNING XEROX CORPORATION (US) 2010-09-09 US disclosed
US-20100124611-A1 Phase Change Inks Containing Graphene-Based Carbon Allotrope Colorants XEROX CORPORATION (US) 2010-05-20 US disclosed
US-20090046134-A1 Phase change ink compositions XEROX CORPORATION 2009-02-19 US disclosed