SCHEMBL2095185

SCHEMBL2095185

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 4/20 0.40
ALDH1A1 P00352 6/20 0.35
GLO1 Q04760 1/20 0.33
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 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
SCHEMBL2095135 0.83 THRB (0.46) THRBTSHRALDH1A1GLO1LMNA
Sulfuric Acid SCHEMBL1169601 0.79 THRB (0.55) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL2099083 0.79 THRB (0.49) THRBTSHRALDH1A1GLO1LMNA
Sulfuric Acid SCHEMBL1943128 0.77 THRB (0.53) THRBTSHRALDH1A1GLO1LMNA
Sulfuric Acid SCHEMBL1943127 0.77 THRB (0.53) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL2093901 0.77 TSHR (0.46) THRBTSHRALDH1A1GLO1LMNA
Hydroxyamine SCHEMBL29435122 0.75 THRB (0.59) THRBTSHRALDH1A1GLO1LMNA
Hydrogen Sulfide SCHEMBL11505632 0.75 THRB (0.59) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL15030 0.75
SCHEMBL19409375 0.75 THRB (0.64) THRBTSHRALDH1A1GLO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364708-A Method, composition and copolymer therefor for combating frost on a substrate 罗地亚经营管理公司 2022-04-15 CN disclosed
CN-114072469-A Use of polyphenol compounds and hydrophilic polymers for reducing or preventing colloidal adhesion and/or fouling on a substrate 罗地亚经营管理公司 2022-02-18 CN disclosed
CN-112292404-A Methods, compositions, and copolymers useful therefor for reducing or preventing colloidal adhesion and/or fouling on substrates 罗地亚经营管理公司 2021-01-29 CN disclosed
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