Oxalic Acid

Oxalic Acid

SCHEMBL5022902

CC(C(=O)O)C(F)(F)F.CC(C(=O)O)C(F)(F)F.CC(C(=O)O)C(F)(F)F.CCc1[nH]cc[n+]1C.CCc1[nH]cc[n+]1C.CCc1[nH]cc[n+]1C.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.[O-]B([O-])[O-]

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL5014687 0.86
Oxalic Acid SCHEMBL5014693 0.85
Oxalic Acid SCHEMBL5022969 0.84
Oxalic Acid SCHEMBL5022942 0.82
Oxalic Acid SCHEMBL5015114 0.81
Trifluoroacetic Acid SCHEMBL535086 0.76 NPC1 (0.31)
Oxalic Acid SCHEMBL5014684 0.72 TP53 (0.31)
Tetrylammonium SCHEMBL5015057 0.70
Oxalic Acid SCHEMBL5014702 0.68 BBOX1 (0.33)
Methyl Phosphonate SCHEMBL15575347 0.68 CYP2C19 (0.30)

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
US-8652682-B2 Ionic compound, electrolytic solution, electrochemical device, and battery SONY CORPORATION (JP) 2014-02-18 US disclosed
US-20080118845-A1 IONIC COMPOUND, ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, AND BATTERY SONY CORPORATION (JP) 2008-05-22 US disclosed