Oxalic Acid

Oxalic Acid

SCHEMBL8791341

CC=CCc1noc(C23CCCN(C2)C3)n1.O=C(O)C(=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 SCHEMBL8791335 1.00
Oxalic Acid SCHEMBL8790892 0.84 CHRM2 (0.33)
Oxalic Acid SCHEMBL8791269 0.82 CHRM2 (0.43)
Oxalic Acid SCHEMBL8791078 0.81 CHRM2 (0.44)
Oxalic Acid SCHEMBL8790272 0.81 CHRM2 (0.45)
Oxalic Acid SCHEMBL8790622 0.78 HSD11B1 (0.41)
Oxalic Acid SCHEMBL8791331 0.78
Oxalic Acid SCHEMBL9879691 0.75
SCHEMBL8790629 0.72 CHRM2 (0.39)
Oxalic Acid SCHEMBL9051385 0.71 HSD11B1 (0.39)

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
EP-0413545-B1 Azabicyclic compounds BEECHAM GROUP PLC (GB) 1997-05-14 EP disclosed
US-5157160-A Treatment of diseases of the nervous system BEECHAM GROUP P.L.C. (GB) 1992-10-20 US disclosed
EP-0413545-A2 Azabicyclic compounds Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed