SCHEMBL9073385

SCHEMBL9073385

C=C(C)C(=O)OCC[S+]([O-])CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL873752 0.85 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL3294044 0.81 THRB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL9220667 0.80 THRB (0.38) THRBTSHRPOLBAPEX1HTT
Succinic Acid SCHEMBL5426323 0.78 THRB (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL75014 0.78 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL9618690 0.77 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL22471964 0.76 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL22471967 0.76 THRB (0.53) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18139541 0.76 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL30546666 0.76 THRB (0.53) THRBTSHRPOLBAPEX1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457172-A An alkoxycarbonylalkylthio(or sulfone or sulfoxide) alkyl acrylate monomer; homo- and copolymers; molding materials; castings; binders; coating vehicles ELF ATOCHEM S.A. (FR) 1995-10-10 US claimed
US-5587499-A SIMPLE, EFFICIENT ELF ATOCHEM S.A. (FR) 1996-12-24 US disclosed
US-5457172-A An alkoxycarbonylalkylthio(or sulfone or sulfoxide) alkyl acrylate monomer; homo- and copolymers; molding materials; castings; binders; coating vehicles ELF ATOCHEM S.A. (FR) 1995-10-10 US disclosed