SCHEMBL4421080

SCHEMBL4421080

CC(CCC(=O)OO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
GABRR1 P24046 2/20 0.48
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
ACE2 Q9BYF1 1/20 0.39
LMNA P02545 1/20 0.36
SLC1A1 P43005 1/20 0.35
NAALAD2 Q9Y3Q0 3/20 0.34
TBXAS1 P24557 2/20 0.34
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ENPEP Q07075 1/20 0.33

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
SCHEMBL4428411 0.87 CYP1A2 (0.50) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL3595528 0.84 CYP1A2 (0.62) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL12356342 0.82 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL4421081 0.82 CYP1A2 (0.38) CYP1A2
SCHEMBL1835138 0.82 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL1835136 0.82 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL25480895 0.80 CYP1A2 (0.58) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL11076712 0.78 CYP1A2 (0.56) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL11076713 0.78 CYP1A2 (0.56) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL26668900 0.78 CYP1A2 (0.56) CYP1A2GABRR1LTA4HBLMACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207108-B1 STORAGE STABLE, AQUEOUS ACIDIC EQUILIBRIUM SOLUTION CONTAINING PERACID COMPONENT IN SOLUTION HAVING PH 1-5, WHICH COMPRISES ATLEAST ONE ESTER PERACID, PREPARED BY REACTING A CARBOXYLIC ALKYL ESTER COMPOUND WITH INORGANIC PEROXIDE SOLVAY INTEROX LIMITES (GB) 2001-03-27 US claimed
EP-0765309-B1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LTD (GB) 1999-04-07 EP claimed
EP-0765309-A1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1997-04-02 EP claimed
WO-1995034537-A1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1995-12-21 WO claimed
EP-0799298-B2 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LTD (GB) 2009-10-21 EP disclosed
US-6207108-B1 STORAGE STABLE, AQUEOUS ACIDIC EQUILIBRIUM SOLUTION CONTAINING PERACID COMPONENT IN SOLUTION HAVING PH 1-5, WHICH COMPRISES ATLEAST ONE ESTER PERACID, PREPARED BY REACTING A CARBOXYLIC ALKYL ESTER COMPOUND WITH INORGANIC PEROXIDE SOLVAY INTEROX LIMITES (GB) 2001-03-27 US disclosed
US-6080712-A Thickened peracid compositions SOLVAY INTEROX LIMITED (GB) 2000-06-27 US disclosed
EP-0799298-B1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LTD (GB) 2000-03-29 EP disclosed
EP-0799297-B1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LTD (GB) 2000-03-29 EP disclosed
EP-0765309-B1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LTD (GB) 1999-04-07 EP disclosed
EP-0799298-A1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1997-10-08 EP disclosed
EP-0799297-A1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1997-10-08 EP disclosed
EP-0765309-A1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1997-04-02 EP disclosed
WO-1996019558-A1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1996-06-27 WO disclosed
WO-1996019559-A1 THICKENED PERACID COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1996-06-27 WO disclosed
WO-1995034537-A1 PEROXYGEN COMPOSITIONS SOLVAY INTEROX LIMITED (GB) 1995-12-21 WO disclosed