Oxalic Acid

Oxalic Acid

SCHEMBL9368372

CCCCCN1CCC(COCc2ccc(F)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.74

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 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 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
Oxalic Acid SCHEMBL9528351 0.95 CHRNB4 (0.47)
SCHEMBL9373991 0.93
Oxalic Acid SCHEMBL9368757 0.90 SLC6A2 (0.45) CCR5
Oxalic Acid SCHEMBL7322850 0.80 BCHE (0.62)
Oxalic Acid SCHEMBL9528825 0.80 KDM4E (0.53)
Fluorobenzene SCHEMBL27375567 0.78 CHRNB4 (0.52)
SCHEMBL9372865 0.77 SIGMAR1 (0.49)
Hydrochloric Acid SCHEMBL9374823 0.76 SIGMAR1 (0.48)
Oxalic Acid SCHEMBL9371181 0.76 KDM4E (0.58)
SCHEMBL7417311 0.75 KCNH2 (0.44)

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-0589971-A1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-04-06 EP disclosed
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 WO disclosed