SCHEMBL5678091

SCHEMBL5678091

C=C(C=CC(=O)O)C(=O)OC.C=COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL4611870 0.85 HCAR2 (0.48) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL36949 0.85 HCAR2 (0.52) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Acrylic Acid SCHEMBL4839392 0.83 HCAR2 (0.46) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Fumaric Acid SCHEMBL231340 0.83 TSHR (0.45) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Maleic Acid SCHEMBL27537584 0.83 TSHR (0.45) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Maleic Acid SCHEMBL67549 0.83 TSHR (0.45) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Fumaric Acid SCHEMBL67551 0.83 TSHR (0.45) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL2866687 0.82 HCAR2 (0.44) HCAR2ALDH1A1HSD17B10MAPTTSHR
Methacrylic Acid SCHEMBL3104275 0.82 ALDH1A1 (0.48) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL1476972 0.82 ALDH1A1 (0.60) HCAR2ALDH1A1ALOX15RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051227-B1 METHOD OF SCALE CONTROL IN THE BAYER PROCESS USING WATER CONTINUOUS EMULSION TERPOLYMERS NALCO CHEMICAL CO (US) 2006-03-08 EP claimed
EP-1051227-A4 WATER CONTINUOUS EMULSION POLYMERS FOR IMPROVING THE EFFICIENCY OF FILTRATION, CLARIFICATION AND SCALE CONTROL IN THE BAYER PROCESS NALCO CHEMICAL CO (US) 2001-11-28 EP claimed
EP-1051227-A1 WATER CONTINUOUS EMULSION POLYMERS FOR IMPROVING THE EFFICIENCY OF FILTRATION, CLARIFICATION AND SCALE CONTROL IN THE BAYER PROCESS NALCO CHEMICAL COMPANY (US) 2000-11-15 EP claimed
US-6086771-A ADDING TO THE PROCESS STREAMS AN ANTISCALING AGENT, A TERPOLYMER OF METHYL ACRYLATE/ACRYLIC ACID/VINYL ACETATE NALCO CHEMICAL COMPANY (US) 2000-07-11 US claimed
WO-1999030794-A1 WATER CONTINUOUS EMULSION POLYMERS FOR IMPROVING THE EFFICIENCY OF FILTRATION, CLARIFICATION AND SCALE CONTROL IN THE BAYER PROCESS NALCO CHEMICAL COMPANY (US) 1999-06-24 WO claimed
US-6086771-A ADDING TO THE PROCESS STREAMS AN ANTISCALING AGENT, A TERPOLYMER OF METHYL ACRYLATE/ACRYLIC ACID/VINYL ACETATE NALCO CHEMICAL COMPANY (US) 2000-07-11 US disclosed