SCHEMBL2093901

SCHEMBL2093901

C=C(C)C(=O)OCC.CCCC[N+](C)(C)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.34
FAAH O00519 2/20 0.32
GLO1 Q04760 1/20 0.32
ENPP2 Q13822 3/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2095135 0.91 THRB (0.46) TSHRTHRBALDH1A1GLO1LMNA
SCHEMBL867366 0.90 THRB (0.42) TSHRTHRBALDH1A1GLO1
SCHEMBL2099083 0.84 THRB (0.49) TSHRTHRBALDH1A1GLO1LMNA
Sulfuric Acid SCHEMBL1169601 0.78 THRB (0.55) TSHRTHRBALDH1A1GLO1LMNA
SCHEMBL2095185 0.77 THRB (0.45) TSHRTHRBALDH1A1GLO1LMNA
SCHEMBL4810104 0.76 THRB (0.53) TSHRTHRBALDH1A1GLO1LMNA
Decane SCHEMBL27941727 0.76 TSHR (0.74) TSHRTHRBALDH1A1FAAHGLO1
Sulfuric Acid SCHEMBL1943127 0.76 THRB (0.53) TSHRTHRBALDH1A1GLO1LMNA
Sulfuric Acid SCHEMBL1943128 0.76 THRB (0.53) TSHRTHRBALDH1A1GLO1LMNA
Hexadecane SCHEMBL28334360 0.75 TSHR (0.71) TSHRTHRBALDH1A1FAAHGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163100-B2 Synthetic microgel polymer compositions for treating and/or modifying hard surfaces RHODIA OPERATIONS (FR) 2012-04-24 US disclosed
US-20100004152-A1 Synthetic Microgel Polymer Compositions for Treating and/or Modifying Hard Surfaces RHODIA OPERATIONS (FR) 2010-01-07 US disclosed