SCHEMBL25967152

SCHEMBL25967152

C=CC(=O)OCCOC(=O)CCOC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
THRB P10828 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DGKA P23743 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 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
SCHEMBL25823302 0.94 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9143157 0.92 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2459290 0.92 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3268545 0.88 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
Propene SCHEMBL4273406 0.86 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9280497 0.86 TSHR (0.76) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL242130 0.86 TSHR (0.76) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9141648 0.86 TSHR (0.76) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17921215 0.86 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26108091 0.86 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220224-A1 AQUEOUS DISPERSION AND IMAGE RECORDING METHOD FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed