SCHEMBL108948

SCHEMBL108948

C=CC(=O)OCCCO[SiH](OC)OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL3389472 0.96 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL109048 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3835483 0.89 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL537087 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL107214 0.81 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL321925 0.80 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18528934 0.79 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16486580 0.79 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5913005 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29171161 0.79 TSHR (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424740-B1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES DOW CORNING (US) 2013-10-16 EP disclosed
US-20120059121-A1 Elastomer Compositions Modified By Silanes DOW CORNING EUROPE SA (BE) 2012-03-08 US disclosed
EP-2424740-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES Dow Corning Corporation (US) 2012-03-07 EP disclosed
WO-2010125123-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES DOW CORNING CORPORATION (US) 2010-11-04 WO disclosed