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Oxalic Acid

Oxalic Acid

SCHEMBL11567142

CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCc2ccccc2)CC1.CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCc2ccccc2)CC1.O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.83

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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 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 14/20 0.83
▸ OPRD1 P41143 5/20 0.83
▸ OPRK1 P41145 3/20 0.83
▸ CACNA1C Q13936 1/20 0.70
▸ OPRL1 P41146 1/20 0.58

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
Carfentanil SCHEMBL9737212 0.93 OPRM1 (0.96) OPRM1OPRD1OPRK1CACNA1COPRL1
[11C]-Carfentanil SCHEMBL29374424 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL116222 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL238456 0.90 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL4256090 0.90 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1
Oxalic Acid SCHEMBL11567140 0.89 OPRM1 (0.65) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL10971248 0.88 OPRM1 (0.73) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL8198710 0.88 OPRM1 (0.81) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11564513 0.87 OPRM1 (0.71) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11564306 0.87 OPRM1 (0.83) OPRM1OPRD1OPRK1CACNA1C

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-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 — — US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 — — US disclosed