SCHEMBL4421081

SCHEMBL4421081

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL4428415 0.87 MAPT (0.35) CYP1A2KMT2ACA1
SCHEMBL4421080 0.82 CYP1A2 (0.60) CYP1A2
SCHEMBL4451789 0.82 CYP1A2 (0.60) CYP1A2
SCHEMBL18812794 0.78
SCHEMBL7436243 0.76
SCHEMBL3933264 0.76
SCHEMBL4429513 0.76 ALDH1A1 (0.36)
SCHEMBL28385994 0.76 BLM (0.40) CYP1A2KMT2ACA1
SCHEMBL28725120 0.76 CA1 (0.48) CYP1A2CA1
SCHEMBL6300743 0.74 CYP1A2 (0.45) CYP1A2

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 17 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-0822183-A2 A process for forming a peracid and a composition comprising said peracid THE PROCTER & GAMBLE COMPANY (US) 1998-02-04 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