SCHEMBL7783389

SCHEMBL7783389

C=CC(=O)OCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL476940 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29467782 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7698331 0.80 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9805672 0.80 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9302488 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL395572 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL733859 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL674051 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL397193 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29381280 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4

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-6291696-B2 Preparation of tris (trimethylsilyl) silylethyl esters SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-09-18 US disclosed
JP-2001253885-A METHOD FOR PRODUCING TRIS(TRIMETHYLSILYL)SILYLETHYL ESTER SHIN ETSU CHEM CO LTD 2001-09-18 JP disclosed
US-20010007909-A1 Preparation of tris (trimethylsilyl) silylethyl esters SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-07-12 US disclosed