SCHEMBL21117522

SCHEMBL21117522

C=C(C)C(=O)OCCCS(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39

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
Methane SCHEMBL22238398 0.92 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13625709 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.78 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.78 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.78 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554423 0.76 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554413 0.76 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554406 0.76 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554429 0.76 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22554404 0.76 TSHR (0.83) 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
EP-3008096-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed