SCHEMBL5395142

SCHEMBL5395142

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.35

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
SCHEMBL5406656 0.85 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2780899 0.82 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL108692 0.80 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9227871 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL397010 0.78 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9411504 0.77 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL600138 0.77 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2403942 0.77 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL105934 0.77 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27879909 0.76 TSHR (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276615-B2 Organofunctional surface-modified metal oxides WACKER CHEMIE AG (DE) 2007-10-02 US disclosed
EP-1473296-B1 Organofunctional surface modified metal oxides WACKER CHEMIE AG (DE) 2006-08-02 EP disclosed
US-20040220419-A1 Organofunctional surface-modified metal oxides WACKER-CHEMIE GMBH (DE) 2004-11-04 US disclosed
EP-1473296-A1 Organofunctional surface modified metal oxides Wacker-Chemie GmbH (DE) 2004-11-03 EP disclosed