SCHEMBL11099142

SCHEMBL11099142

C=C(C)C(=O)OCCC[Si](CCOC(=O)C(=C)C)(OC)OC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL845108 0.96 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3502570 0.90 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1270108 0.90 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL340893 0.88 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12110929 0.88 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15015550 0.87 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16536218 0.86 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16537187 0.85 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11252984 0.85 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29144983 0.85 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT

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-4432877-A Organo-mercurial materials NEW ENGLAND NUCLEAR CORPORATION (US) 1984-02-21 US disclosed