SCHEMBL1122419

SCHEMBL1122419

O=C(O)C1(C(=O)O)CO1

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
SCHEMBL11492168 0.78 SMN1; SMN2 (0.30)
SCHEMBL30970933 0.69
SCHEMBL174397 0.67 FFAR3 (0.32)
SCHEMBL11574475 0.67 FFAR3 (0.36)
SCHEMBL9980779 0.67 FFAR3 (0.30)
SCHEMBL7780949 0.67
SCHEMBL335112 0.67
Ethylene SCHEMBL4239138 0.63
SCHEMBL8678814 0.62 FFAR3 (0.44)
SCHEMBL198365 0.59

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 243 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104743685-A Long-acting sustained-release scale and corrosion inhibitor for circulating water WEIHAI XIANGYU ENVIRONMENTAL PROT TECHNOLOGY CO LTD 2015-07-01 CN claimed
EP-1570032-B1 Water blended fuel composition LUBRIZOL CORP (US) 2011-02-09 EP claimed
US-7799467-B2 Polyoxyethylene glycol; electrostatics, hydrogen bonding MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-21 US claimed
US-7722688-B2 Fuel composition having a normally liquid hydrocarbon fuel, water, a high molecular weight emulsifier, and a nitrogen-free surfactant including a hydrocarbyl substituted carboxylic acid or a reaction product of the hydrocarbyl substituted carboxylic acid or reactive equivalent of such acid with an alcohol THE LUBRIZOL CORPORATION (US) 2010-05-25 US claimed
US-7704308-B2 Method of highlighting with a reversible highlighting mixture, highlighting kit, and highlighted complex SANFORD, L.P. (US) 2010-04-27 US claimed
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP claimed
EP-1841828-B1 METHOD OF HIGHLIGHTING WITH A REVERSIBLE HIGHLIGHTING MIXTURE, HIGHLIGHTING KIT, AND HIGHLIGHTED COMPLEX SANFORD LP (US) 2009-01-14 EP claimed
EP-1841828-A1 METHOD OF HIGHLIGHTING WITH A REVERSIBLE HIGHLIGHTING MIXTURE, HIGHLIGHTING KIT, AND HIGHLIGHTED COMPLEX Sanford, L.P. (US) 2007-10-10 EP claimed
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP claimed
US-7163575-B2 Water-based, resin-free and solvent-free eradicable ball-pen inks SANFORD, L.P. (US) 2007-01-16 US claimed
EP-1570032-A1 WATER BLENDED FUEL COMPOSITION THE LUBRIZOL CORPORATION (US) 2005-09-07 EP claimed
US-20050158471-A1 Method of highlighting with a reversible highlighting mixture, highlighting kit, and highlighted complex SANFORD, L.P. 2005-07-21 US claimed
EP-1172421-B1 Water-based ink composition KAO CORP (JP) 2004-12-29 EP claimed
WO-2004055138-A1 WATER BLENDED FUEL COMPOSITION THE LUBRIZOL CORPORATION (US) 2004-07-01 WO claimed
US-20040111957-A1 Water blended fuel composition LUBRIZOL CORPORATION, THE 2004-06-17 US claimed
US-6740690-B2 COMPRISING A POLYBASIC ACID, AN IONIC POLYMER AND A COLORING AGENT; FOR INK JET RECORDING KAO CORPORATION (JP) 2004-05-25 US claimed
US-20030228523-A1 Polyoxyethylene glycol; electrostatics, hydrogen bonding MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-12-11 US claimed
WO-2003085038-A2 SOLID POLYMER ELECTROLYTES FROM POLYETHYLENE OXIDE-CONTAINING LAYER-BY-LAYER ASSEMBLED FILMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-10-16 WO claimed
US-20020016385-A1 Comprising a polybasic acid, an ionic polymer and a coloring agent; for ink jet recording KAO CORPORATION (JP) 2002-02-07 US claimed
EP-1172421-A1 Water-based ink composition KAO CORPORATION (JP) 2002-01-16 EP claimed