Oxalic Acid

Oxalic Acid

SCHEMBL27601439

O=C(O)C(=O)O.O=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.63

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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 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
POLB P06746 7/20 0.63
TDP1 Q9NUW8 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
GLO1 Q04760 1/20 0.57
LMNA P02545 7/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MITF O75030 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
XBP1 P17861 1/20 0.56
CYP3A4 P08684 3/20 0.51
HTT P42858 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51

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 SCHEMBL28835365 1.00 KMT2A (0.63) KMT2APOLBTDP1L3MBTL1GLO1
Acetic Acid SCHEMBL19458526 0.91 GLO1 (0.64) KMT2APOLBTDP1L3MBTL1GLO1
SCHEMBL183545 0.91 KMT2A (0.66) KMT2APOLBTDP1L3MBTL1GLO1
Nitric Acid SCHEMBL11753070 0.89 KMT2A (0.59) KMT2APOLBTDP1L3MBTL1GLO1
Ammonia Solution, Strong SCHEMBL27671164 0.89 KMT2A (0.63) KMT2APOLBTDP1L3MBTL1GLO1
Glycine SCHEMBL8217195 0.87 KMT2A (0.56) KMT2APOLBTDP1L3MBTL1GLO1
Acetic Acid SCHEMBL11781050 0.85 KMT2A (0.59) KMT2APOLBTDP1L3MBTL1GLO1
Furan SCHEMBL28801428 0.81 KMT2A (0.54) KMT2APOLBTDP1L3MBTL1GLO1
Biguanide SCHEMBL27425059 0.79 LMNA (0.52) KMT2APOLBTDP1L3MBTL1GLO1
SCHEMBL19580101 0.79 LMNA (0.52) KMT2APOLBTDP1L3MBTL1GLO1

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
CN-1513851-A Synthesis method of 5-hydroxy methyl furazolidone 曹桂东 2004-07-21 CN claimed
CN-1513851-A Synthesis method of 5-hydroxy methyl furazolidone 曹桂东 2004-07-21 CN disclosed