Oxalic Acid

Oxalic Acid

SCHEMBL9702330

O=C(O)C(=O)O.c1nnc(C23CCCN(CC2)C3)o1

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
SCHEMBL9047421 0.92
Oxalic Acid SCHEMBL9049924 0.78 ALDH1A1 (0.31)
Oxalic Acid SCHEMBL9703375 0.76 PDK2 (0.35)
Oxalic Acid SCHEMBL9702336 0.73 MME (0.30)
Oxalic Acid SCHEMBL9051385 0.72 HSD11B1 (0.39)
Oxalic Acid SCHEMBL9051431 0.71 ALDH1A1 (0.31)
Oxalic Acid SCHEMBL9049301 0.70 ACE2 (0.30)
Oxalic Acid SCHEMBL8790117 0.69 CNR1 (0.32)
Oxalic Acid SCHEMBL9702679 0.69 CHRM2 (0.31)
Oxalic Acid SCHEMBL8791636 0.69 ALDH1A1 (0.34)

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-5132316-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed