SCHEMBL6578377

SCHEMBL6578377

CCCCCCCCS(=O)(=O)C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
FAAH O00519 4/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL9635419 1.00 CA2 (0.53) CA2ACE2GPR84FFAR1FAAH
SCHEMBL10589936 1.00 CA2 (0.53) CA2ACE2GPR84FFAR1FAAH
SCHEMBL8364457 1.00 CA2 (0.53) CA2ACE2GPR84FFAR1FAAH
SCHEMBL6578404 1.00 CA2 (0.53) CA2ACE2GPR84FFAR1FAAH
SCHEMBL9634023 1.00 CA2 (0.53) CA2ACE2GPR84FFAR1FAAH
Hydrochloric Acid SCHEMBL10655500 0.98 CA2 (0.52) CA2ACE2GPR84FFAR1FAAH
SCHEMBL7432146 0.98 CA2 (0.50) CA2ACE2GPR84FFAR1FAAH
SCHEMBL5127157 0.92 CA2 (0.42) CA2ACE2GPR84FFAR1MAPT
SCHEMBL6934813 0.92 CA2 (0.41) CA2ACE2GPR84FFAR1MAPT
SCHEMBL1620572 0.83 CHRM1 (0.37) CA2ACE2GPR84FFAR1

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-20030162671-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. 2003-08-28 US claimed
JP-2001507724-A 2001-06-12 JP claimed
EP-0979266-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS Solutia Inc. (US) 2000-02-16 EP claimed
WO-1998008919-A9 NOVEL WATER SOLUBLE METAL WORKING FLUIDS 1998-05-28 WO claimed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO claimed
JP-4282358-A None JP disclosed
US-6706670-B2 CARBOXYLIC ACIDS AND SALTS AND PHOSPHATES, BORATES, PHOSPHONATES, PHOSPHITES AND HYPOPHOSPHITES SOLUTIA, INC. 2004-03-16 US disclosed
US-20030162671-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. 2003-08-28 US disclosed
EP-0979266-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS Solutia Inc. (US) 2000-02-16 EP disclosed
WO-1998008919-A9 NOVEL WATER SOLUBLE METAL WORKING FLUIDS 1998-05-28 WO disclosed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO disclosed
EP-0480900-B1 Process for preparing sulfonyl acids MONSANTO CO (US) 1995-11-22 EP disclosed
US-5171883-A PROCESS FOR PREPARING SULFONYL ACIDS MONSANTO COMPANY (US) 1992-12-15 US disclosed
JP-H04282358-A PRODUCTION OF SULFONYL ACIDS MONSANTO CO 1992-10-07 JP disclosed
EP-0334427-B1 ALKYL SULPHONYL PEROXYCARBOXYLIC ACIDS AND BLEACHING AND DETERGENT COMPOSITIONS CONTAINING THE SAME AKZO N.V. (NL) 1992-06-10 EP disclosed
EP-0480900-A2 Process for preparing sulfonyl acids MONSANTO COMPANY (US) 1992-04-15 EP disclosed
EP-0334427-A1 Alkyl sulphonyl peroxycarboxylic acids and bleaching and detergent compositions containing the same AKZO N.V. (NL) 1989-09-27 EP disclosed