Oxalic Acid

Oxalic Acid

SCHEMBL8080680

CCOCCC1(C(=O)O)CC2C=CC1C2.O=C(O)C(=O)O

nearest known ligand 0.35

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
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 2/20 0.32

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
SCHEMBL8613885 0.84 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL32689218 0.81 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL7638350 0.79 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL5837479 0.78 CYP2D6 (0.35) CYP2D6CYP2C19EPHX2
SCHEMBL350877 0.78 CYP2D6 (0.46) CYP2D6CYP2C19
SCHEMBL32688908 0.77 CYP2D6 (0.38) CYP2D6CYP2C19EPHX2
SCHEMBL9317520 0.76 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL710692 0.76 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837266 0.75 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL5837412 0.75 TSHR (0.33) CYP2D6CYP2C19EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021750-A1 PHOTORESIST COMPOSITIONS COMPRISING POLYCYCLIC POLYMERS WITH ACID LABILE PENDANT GROUPS THE B.F. GOODRICH COMPANY (US) 2000-07-26 EP disclosed
EP-1021477-A1 PHOTORESIST COMPOSITIONS COMPRISING POLYCYCLIC POLYMERS WITH ACID LABILE PENDANT GROUPS THE B.F. GOODRICH COMPANY (US) 2000-07-26 EP disclosed
WO-1999014256-A1 PHOTORESIST COMPOSITIONS COMPRISING POLYCYCLIC POLYMERS WITH ACID LABILE PENDANT GROUPS THE B.F. GOODRICH COMPANY (US) 1999-03-25 WO disclosed
WO-1999014635-A1 PHOTORESIST COMPOSITIONS COMPRISING POLYCYCLIC POLYMERS WITH ACID LABILE PENDANT GROUPS THE B.F. GOODRICH COMPANY (US) 1999-03-25 WO disclosed