SCHEMBL5068016

SCHEMBL5068016

C=C(C)C(=O)OCCC[Si](C)(C)OCC.C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.39
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5702087 0.86 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7940214 0.86 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL64874 0.85 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL35612 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL35807 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2106287 0.83 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL395578 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL333002 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5068019 0.82 TSHR (0.35) TSHRTHRB
SCHEMBL11319668 0.82 TSHR (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 WO disclosed