Oxalic Acid

Oxalic Acid

SCHEMBL6173205

Cc1cc(Cc2c(-c3ccc(OCCC4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

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 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.76
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48

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
SCHEMBL6172105 0.88 F2 (0.65) F2ESR1ESR2
SCHEMBL6592429 0.86 F2 (1.00) F2ESR1ESR2
SCHEMBL6598990 0.86 F2 (0.86) F2ESR1ESR2
Oxalic Acid SCHEMBL6173814 0.85 F2 (0.76) F2ESR1ESR2
Oxalic Acid SCHEMBL6169916 0.85 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6169922 0.85 F2 (0.68) F2ESR1ESR2
SCHEMBL6598502 0.84 F2 (0.77) F2ESR1ESR2
SCHEMBL6597695 0.84 F2 (0.77) F2ESR1ESR2
Oxalic Acid SCHEMBL7413926 0.84 F2 (0.70) F2ESR1ESR2
Oxalic Acid SCHEMBL6171607 0.83 F2 (0.68) F2ESR1ESR2

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
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed