SCHEMBL6578246

SCHEMBL6578246

C=CCC1=NN(S)CS1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4903675 0.60
SCHEMBL45451 0.57
SCHEMBL11564742 0.56
SCHEMBL5347710 0.53
SCHEMBL7247176 0.52
SCHEMBL2863627 0.51
SCHEMBL475143 0.51
SCHEMBL468475 0.50
SCHEMBL3856069 0.48 NPSR1 (0.31)
SCHEMBL5831274 0.48 ALDH1A1 (0.33)

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-11987892-B2 Metal cleaning compositions comprising furoate esters and uses therefor NORTH AMERICAN PRODUCTS GROUP, LLC (US) 2024-05-21 US disclosed
EP-3740662-B1 METAL CLEANING COMPOSITIONS COMPRISING FUROATE ESTERS AND USES THEREFOR QMAXX PRODUCTS GROUP INC (US) 2023-08-16 EP disclosed
US-20210071309-A1 METAL CLEANING COMPOSITIONS COMPRISING FUROATE ESTERS AND USES THEREFOR NORTH AMERICAN PRODUCTS GROUP, LLC 2021-03-11 US disclosed
EP-3740662-A1 METAL CLEANING COMPOSITIONS COMPRISING FUROATE ESTERS AND USES THEREFOR Qmaxx Products Group, Inc. (US) 2020-11-25 EP disclosed
EP-3617346-A1 SURFACE TREATMENT COMPOSITIONS, METHOD OF TREATING A SURFACE AND TREATED SURFACE Coöperatie Koninklijke Cosun U.A. (NL) 2020-03-04 EP disclosed
WO-2019143893-A1 METAL CLEANING COMPOSITIONS COMPRISING FUROATE ESTERS AND USES THEREFOR Q-MAXX PRODUCTS GROUP, INC. (US) 2019-07-25 WO 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
EP-0854905-A4 IMPROVED WATER SOLUBLE METAL WORKING FLUIDS MONSANTO CO (US) 1999-12-15 EP disclosed
EP-0722483-B1 Water soluble metal working fluids MONSANTO CO (US) 1999-07-07 EP disclosed
EP-0854905-A1 IMPROVED WATER SOLUBLE METAL WORKING FLUIDS MONSANTO COMPANY (US) 1998-07-29 EP disclosed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO disclosed
US-5616544-A POLYASPARTIC ACID SOLUTION MONSANTO COMPANY (US) 1997-04-01 US disclosed
WO-1997004052-A1 IMPROVED WATER SOLUBLE METAL WORKING FLUIDS MONSANTO COMPANY (US) 1997-02-06 WO disclosed
EP-0722483-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS MONSANTO COMPANY (US) 1996-07-24 EP disclosed
WO-1995010583-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS MONSANTO COMPANY (US) 1995-04-20 WO disclosed