Oxalic Acid

Oxalic Acid

SCHEMBL28709753

NCCCOc1cccc(CN2CCCCC2)c1.O=C(O)C(=O)O

nearest known ligand 0.72

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 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.64
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
FAAH O00519 1/20 0.59
HRH3 Q9Y5N1 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
SCHEMBL5288663 0.92 HRH2 (0.61) HRH2HRH3
SCHEMBL10527698 0.92 HRH2 (0.61) HRH2HRH3
SCHEMBL10689006 0.92 HRH2 (0.61) HRH2HRH3
SCHEMBL30597717 0.92 HRH2 (0.61) HRH2HRH3
SCHEMBL10679839 0.92 HRH2 (0.61) HRH2HRH3
SCHEMBL9551700 0.91 HRH2 (0.59) HRH2KDM4EALDH1A1HRH3
SCHEMBL9574750 0.89 HRH2 (0.61) HRH2HRH3
SCHEMBL9551695 0.88 HRH2 (0.56) HRH2KDM4EHRH3
SCHEMBL10401176 0.87 HRH2 (0.62) HRH2HRH3
SCHEMBL10982783 0.87 HRH2 (0.62) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195739-A High-purity roxatidine acetate hydrochloride, intermediate thereof and preparation methods thereof 广安凯特制药有限公司 2022-03-18 CN claimed
CN-114195739-A High-purity roxatidine acetate hydrochloride, intermediate thereof and preparation methods thereof 广安凯特制药有限公司 2022-03-18 CN disclosed
CN-114195739-A High-purity roxatidine acetate hydrochloride, intermediate thereof and preparation methods thereof 广安凯特制药有限公司 2022-03-18 CN disclosed