Oxalic Acid

Oxalic Acid

SCHEMBL5458052

N=C(N)NC(N)=S.O=C(O)C(=O)O

nearest known ligand 0.46

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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 10)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.46
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
HSD17B10 Q99714 2/20 0.32
PTGS2 P35354 1/20 0.32
HPGD P15428 1/20 0.32
KDM5B Q9UGL1 1/20 0.30
ACHE P22303 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
Bicarbonate SCHEMBL10653459 0.92 TAS2R38 (0.48) TAS2R38ALDH1A1HTTHSD17B10PTGS2
Acetic Acid SCHEMBL28266501 0.87 TAS2R38 (0.56) TAS2R38ALDH1A1HTTHSD17B10PTGS2
SCHEMBL176566 0.86
SCHEMBL28033889 0.83
Ammonia Solution, Strong SCHEMBL27448008 0.83
Hydrogen Sulfide SCHEMBL18152011 0.83
SCHEMBL28265811 0.83
Hydrochloric Acid SCHEMBL11137208 0.83
Phosphoric Acid SCHEMBL27574311 0.79 TAS2R38 (0.40) TAS2R38ALDH1A1HSD17B10PTGS2HPGD
Biguanide SCHEMBL4198353 0.74 ACHE (0.40) TAS2R38ALDH1A1LDHALDHBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed