Oxalic Acid

Oxalic Acid

SCHEMBL28622155

NC[C@@H]1CC[C@H]1CN.O=C(O)C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

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
GABRR1 P24046 4/20 0.50
GABRR2 P28476 1/20 0.50
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
CYP2D6 P10635 1/20 0.34
PEPD P12955 1/20 0.33
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
HTR2A P28223 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
Acetic Acid SCHEMBL28987799 0.86 GABRR1 (0.48) GABRR1GABRR2PLGPLATLMNA
SCHEMBL19032979 0.81 SLC6A12 (0.52) GABRR1GABRR2PLGPLATLMNA
Fumaric Acid SCHEMBL28987793 0.81 TSHR (0.45) GABRR1GABRR2PLGPLATLMNA
SCHEMBL8423168 0.80
SCHEMBL1649846 0.80
SCHEMBL15710033 0.80
Bicarbonate SCHEMBL31059126 0.80 GABRR1 (0.48) GABRR1GABRR2PLGPLATLMNA
Trifluoroacetic Acid SCHEMBL28987800 0.79 GABRR1 (0.43) GABRR1GABRR2PLGPLATLMNA
Oxalic Acid SCHEMBL9779895 0.78 GABRR1 (0.41) GABRR1GABRR2PLGPLATLMNA
SCHEMBL9632104 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835570-A Synthesis method of trans-1, 2-diaminomethyl-cyclobutane and salt thereof 上海寻科生物医药科技有限公司 2022-08-02 CN disclosed
CN-113416150-B Synthetic method of lobaplatin intermediate 上海寻科生物医药科技有限公司 2022-05-31 CN disclosed
CN-113416150-A Novel synthesis method of lobaplatin intermediate 上海寻科生物医药科技有限公司 2021-09-21 CN disclosed