SCHEMBL3597832

SCHEMBL3597832

C=CC(=O)OCCC[Si]([Si](C)(C)O[SiH2]C)([Si](C)(C)O[SiH2]C)[Si](C)(C)O[SiH2]C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
ATM Q13315 1/20 0.33
MAPK1 P28482 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
SCHEMBL7585308 0.79 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL308812 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26187833 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2308324 0.76 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9064667 0.75 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1681567 0.75 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3628945 0.75 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9862364 0.74 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL840779 0.74 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9808738 0.74 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53

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-20100021788-A1 POLYMER ELECTROLYTE COMPOSITE FILM, MEMBRANE-ELECTRODE ASSEMBLY AND FUEL CELL CANON KABUSHIKI KAISHA (JP) 2010-01-28 US disclosed