SCHEMBL21117562

SCHEMBL21117562

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ THRB P10828 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ CA2 P00918 2/20 0.34

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
SCHEMBL15040856 0.89 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8200163 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27829873 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5872182 0.83 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25837767 0.83 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22840976 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28082652 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10150487 0.83 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14980 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL766524 0.81 TSHR (0.56) 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
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