SCHEMBL29102478

SCHEMBL29102478

C=C(C)C(=O)OCCOCCCCCCOC(=O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 1/20 0.51
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FAAH O00519 2/20 0.36
NAAA Q02083 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
DGKA P23743 1/20 0.32
CES2 O00748 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
EPHX1 P07099 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7758569 0.87 THRB (0.55) TSHRTHRBHTTPOLBAPEX1
SCHEMBL28190650 0.85 THRB (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL28050716 0.85 TSHR (0.71) TSHRTHRBHTTPOLBAPEX1
SCHEMBL11221480 0.85 TSHR (0.71) TSHRTHRBHTTPOLBAPEX1
SCHEMBL12402241 0.85 TSHR (0.71) TSHRTHRBHTTPOLBAPEX1
SCHEMBL14706828 0.85 THRB (0.68) TSHRTHRBHTTPOLBAPEX1
SCHEMBL9464153 0.85 THRB (0.68) TSHRTHRBHTTPOLBAPEX1
SCHEMBL3103061 0.85 TSHR (0.71) TSHRTHRBHTTPOLBAPEX1
SCHEMBL1991763 0.83 THRB (0.70) TSHRTHRBHTTPOLBAPEX1
SCHEMBL9568827 0.83 THRB (0.70) TSHRTHRBHTTPOLBAPEX1

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
CN-116947641-A Polymerizable photoinitiator containing diphenyl ketone structure and preparation method thereof 宁波力合博汇光敏材料有限公司 2023-10-27 CN disclosed