SCHEMBL22166147

SCHEMBL22166147

C=C(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(=C)C

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.79
TSHR P16473 7/20 0.57
ALDH1A1 P00352 6/20 0.46
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SERPINE1 P05121 1/20 0.32

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
SCHEMBL4617966 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4950550 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL700642 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9314009 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL672102 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2367616 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9485961 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL7157722 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL5959895 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4912664 1.00 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
US-10695554-B2 Bio-electrode composition, bio-electrode, method for manufacturing the bio-electrode, and polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-30 US disclosed