Oxalic Acid

Oxalic Acid

SCHEMBL9438470

O=C(O)C(=O)O.O=C(O)CO.O=CC(=O)O.O=CO

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.36
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 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
Oxalic Acid SCHEMBL16909948 0.94 OR51E2 (0.40) OR51E2KDM4ETSHRALOX15HSD17B10
Oxalic Acid SCHEMBL6245793 0.91 OR51E2 (0.42) OR51E2KDM4ETSHRALOX15ALDH1A1
Glycolic Acid SCHEMBL5074477 0.88 OR51E2 (0.37) OR51E2KDM4ETSHRALOX15HSD17B10
Glycolic Acid SCHEMBL28620464 0.85 OR51E2 (0.35) OR51E2KDM4ETSHRALOX15ALDH1A1
Glycolic Acid SCHEMBL9764167 0.85
Oxalic Acid SCHEMBL9062722 0.85 TSHR (0.38) TSHR
Oxalic Acid SCHEMBL1028515 0.78 OR51E2 (0.53) OR51E2TSHRALOX15ALDH1A1CYP2D6
Oxalic Acid SCHEMBL8986242 0.78 TSHR (0.43) KDM4ETSHRALDH1A1
Glycolic Acid SCHEMBL9701427 0.77 FFAR3 (0.44) OR51E2KDM4ETSHRALOX15ALDH1A1
Glyoxylate SCHEMBL2352268 0.75

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
EP-0611399-A1 HYDROGENATION OF ENZYMATICALLY-PRODUCED GLYOXYLIC ACID/AMINOMETHYL-PHOSPHONIC ACID MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-08-24 EP disclosed
EP-0611398-A1 ENZYMATIC PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-08-24 EP disclosed
US-5262314-A Enzymatic oxidation of glycolic acid in the presence of non-enzymatic catalyst for decomposing hydrogen peroxide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-16 US disclosed
WO-1993009243-A1 HYDROGENATION OF ENZYMATICALLY-PRODUCED GLYOXYLIC ACID/AMINOMETHYL-PHOSPHONIC ACID MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-13 WO disclosed
WO-1993009242-A1 ENZYMATIC PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-13 WO disclosed