SCHEMBL276446

SCHEMBL276446

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.73
ALDH1A1 P00352 5/20 0.73
CYP3A4 P08684 2/20 0.73
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.55
DGKA P23743 1/20 0.52
THRB P10828 2/20 0.46
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.39
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL11233083 0.98 TSHR (0.76) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL19627098 0.96 TSHR (0.65) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL19165635 0.96 TSHR (0.65) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8738404 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL2534124 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL18100189 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL402912 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL16405349 0.92 TSHR (0.65) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12225909 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12251539 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197356-A1 FABRICATION AND APPLICATION OF SHAPE MEMORY POLYMER POSSESSING TRANSESTERIFICATION INDUCED PERMANENT RESHAPING PROPERTY ZHEJIANG UNIVERSITY (CN) 2017-07-13 US disclosed
US-8133620-B2 Polymer electrolyte secondary cell SANYO ELECTRIC CO., LTD. (JP) 2012-03-13 US disclosed
US-20090169976-A1 POLYMER ELECTROLYTE SECONDARY CELL SANYO ELECTRIC CO., LTD. (JP) 2009-07-02 US disclosed