SCHEMBL6577825

SCHEMBL6577825

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
FAAH O00519 5/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL10868016 1.00 CA2 (0.47) CA2GPR84FFAR1FAAHMAPT
SCHEMBL6577847 1.00 CA2 (0.47) CA2GPR84FFAR1FAAHMAPT
SCHEMBL14566014 0.87 GPR84 (0.50) CA2GPR84FFAR1FAAHMAPT
SCHEMBL9097093 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL9097576 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL9097715 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL9094993 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL5056520 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL9095201 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD
SCHEMBL9094759 0.85 GPR84 (0.46) CA2GPR84FFAR1PPARD

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 13 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
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-0438994-B1 Process for preparing sulfonyl acids MONSANTO CO (US) 1995-04-19 EP disclosed
EP-0438994-A1 Process for preparing sulfonyl acids Monsanto Company (US) 1991-07-31 EP disclosed
US-4966731-A Process for preparing sulfonyl acids MONSANTO COMPANY (US) 1990-10-30 US disclosed