SCHEMBL5689405

SCHEMBL5689405

C=C(C)C(=O)OCCC[CH]CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
THRB P10828 1/20 0.56
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 8/20 0.39
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1I2 O75469 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
SCHEMBL27971664 0.93 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27788183 0.93 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23754643 0.90 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7715736 0.87 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27735819 0.86 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5686979 0.84 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5686970 0.84 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15062349 0.84 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5836895 0.83 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8699776 0.83 TSHR (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111747-B A kind of ketoxime removing type room temperature vulcanized silicone rubber of self-catalysis and preparation method thereof 山东大学 2018-06-19 CN disclosed
EP-0978525-B1 Acryloxypropyl or methacryloxypropyl group containing siloxane oligomers DEGUSSA (DE) 2006-03-01 EP disclosed
US-20040210015-A1 AMINE ORGANOBORANE COMPLEX INITIATED POLYMERIZABLE COMPOSITIONS CONTAINING SILOXANE POLYMERIZABLE COMPONENTS SONNENSCHEIN MARK F (US) 2004-10-21 US disclosed
EP-0978525-A2 Acryloxypropyl or methacryloxypropyl group containing siloxane oligomers Degussa-Hüls Aktiengesellschaft (DE) 2000-02-09 EP disclosed