Hypochlorous Acid

Hypochlorous Acid

SCHEMBL3030852

CN1C(=O)N(C)C(Cl)(Br)C1=O.OCl.[CaH2]

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL210683 0.94 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8582236 0.86 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1001742 0.86 KDM4E (0.30) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL10874274 0.81
Hydantoin SCHEMBL6900817 0.76
SCHEMBL544934 0.70 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4168625 0.69 SMN1; SMN2 (0.31) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8185561 0.69 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11423007 0.67 KDM4E (0.31) KDM4EALDH1A1LMNAHPGD
SCHEMBL417571 0.62 PLA2G7 (0.39) LMNA

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
WO-2010096300-A2 NONAQUEOUS CHLORINE DIOXIDE-GENERATING COMPOSITIONS AND METHODS RELATED THERETO BASF CATALYSTS LLC (US) 2010-08-26 WO disclosed
US-20100209332-A1 Nonaqueous Chlorine Dioxide-Generating Compositions and Methods Related Thereto BASF CATALYSTS LLC (US) 2010-08-19 US disclosed