SCHEMBL16153154

SCHEMBL16153154

C=CC(=O)OC(C)(C)C(CC)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL16153152 0.79 TSHR (0.38) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL23494160 0.79 TSHR (0.42) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL23494304 0.77 TSHR (0.39) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL16153153 0.77 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL2740738 0.76 TSHR (0.45) TSHRTHRBALDH1A1TP53CYP3A4
Ethane SCHEMBL1585650 0.74 TSHR (0.43) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL23494217 0.72 TSHR (0.40) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL6928978 0.72 TSHR (0.42) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL12056430 0.72 THRB (0.37) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL19226797 0.72 TSHR (0.42) TSHRTHRBALDH1A1TP53CYP3A4

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
EP-2787564-A1 BINDER RESIN FOR NONAQUEOUS SECONDARY BATTERY ELECTRODE, BINDER RESIN COMPOSITION FOR NONAQUEOUS SECONDARY BATTERY ELECTRODE, SLURRY COMPOSITION FOR NONAQUEOUS SECONDARY BATTERY ELECTRODE, ELECTRODE FOR NONAQUEOUS SECONDARY BATTERY, AND NONAQUEOUS SECONDARY BATTERY Mitsubishi Rayon Co., Ltd. (JP) 2014-10-08 EP disclosed