Oxalic Acid

Oxalic Acid

SCHEMBL28045429

NNc1ccc(Cl)cc1.O=C(O)C(=O)O

nearest known ligand 0.54

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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 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
PTGS2 P35354 3/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44
CYP2C19 P33261 1/20 0.44
ERCC5 P28715 1/20 0.44

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
SCHEMBL7843 0.85
Hydrochloric Acid SCHEMBL73388 0.83 MAPT (0.48) NPC1MAPTKDM4ETDP1POLB
Phosphoric Acid SCHEMBL28045407 0.82 MAPT (0.48) NPC1MAPTKDM4ETDP1POLB
Sulfuric Acid SCHEMBL7599722 0.82 CA1 (0.54) NPC1MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL1712305 0.80 MAPT (0.46) NPC1MAPTKDM4ETDP1POLB
Nitric Acid SCHEMBL28280438 0.78 MAPT (0.54) NPC1MAPTKDM4ETDP1POLB
Phenylhydrazine SCHEMBL19875575 0.78 IDO1 (0.74) MAPTKDM4ETDP1LMNAL3MBTL1
SCHEMBL28375697 0.77 CA1 (0.43) NPC1MAPTKDM4ETDP1POLB
Oxalic Acid SCHEMBL20984619 0.77 MAOA (0.50) NPC1MAPTKDM4ETDP1POLB
Oxalic Acid SCHEMBL20984984 0.77 TSHR (0.55) NPC1MAPTKDM4ETDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272874-A 4-chlorophenylhydrazine oxalate preparation method TIANJIN CHEM REAGENT RES INST 2016-01-27 CN claimed
CN-107663160-B A kind of continuous flow synthesis technology of 4- chlorobenzene hydrazonium salt 上海惠和化德生物科技有限公司 2019-03-01 CN disclosed
CN-107663160-A A kind of continuous stream synthesis technique of 4 chlorobenzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed
CN-105272874-A 4-chlorophenylhydrazine oxalate preparation method TIANJIN CHEM REAGENT RES INST 2016-01-27 CN disclosed
CN-105272874-A 4-chlorophenylhydrazine oxalate preparation method TIANJIN CHEM REAGENT RES INST 2016-01-27 CN disclosed
CN-105272874-A 4-chlorophenylhydrazine oxalate preparation method TIANJIN CHEM REAGENT RES INST 2016-01-27 CN disclosed