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Oxalic Acid

Oxalic Acid

SCHEMBL7971945

COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1CO.O=C(O)C(=O)O

nearest known ligand 0.50

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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 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.50
▸ ESR1 P03372 9/20 0.50
▸ ESR2 Q92731 9/20 0.50
▸ ITGA4 P13612 1/20 0.46

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
SCHEMBL7985788 0.98 ESR1 (0.52) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7989671 0.92 ESR1 (0.50) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6609726 0.91 ESR1 (0.53) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6611102 0.90 ESR1 (0.49) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7981792 0.89 F2 (0.58) F2ESR1ESR2ITGA4
SCHEMBL6603846 0.89 ESR1 (0.52) F2ESR1ESR2ITGA4
SCHEMBL7972400 0.89 ESR1 (0.59) F2ESR1ESR2ITGA4
SCHEMBL6606766 0.89 ESR1 (0.55) F2ESR1ESR2ITGA4
SCHEMBL7456629 0.88 ESR1 (0.51) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7982005 0.83 F2 (0.59) F2ESR1ESR2ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 — — US disclosed