SCHEMBL26348282

SCHEMBL26348282

C=C(C)C(=O)OCCCC(=O)OCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DGKA P23743 1/20 0.36
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DNM1 Q05193 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
HTR2C P28335 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
SCHEMBL14895 0.87 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL434886 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1303200 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
Lithium SCHEMBL31305329 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL1252864 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8861435 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
Methane SCHEMBL8400058 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8861523 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8861467 0.85 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20400759 0.85 THRB (0.50) 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-20230305398-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed