SCHEMBL3411682

SCHEMBL3411682

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

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
SCHEMBL1301652 0.78
SCHEMBL2153981 0.77
SCHEMBL790603 0.77
SCHEMBL12808547 0.77
SCHEMBL18423971 0.77 GRIK1 (0.36)
SCHEMBL11684666 0.77
SCHEMBL6439082 0.76
SCHEMBL13263355 0.76
SCHEMBL19741477 0.76 ALDH1A1 (0.38)
SCHEMBL159060 0.76

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9327034-B2 Branched polyethylene glycol and use thereof UNIVERSITY OF TSUKUBA, A JAPANESE NATIONAL UNIVERSITY (JP) 2016-05-03 US disclosed
WO-2013025337-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-02-21 WO disclosed
WO-2013025490-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2013-02-21 WO disclosed
EP-2110875-B1 POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL KURARAY CO (JP) 2012-10-24 EP disclosed
US-8182949-B2 Polymer electrolyte membrane and process for preparation thereof, and membrane-electrode assembly and polymer electrolyte fuel cell KURARAY CO., LTD. (JP) 2012-05-22 US disclosed
US-20100098997-A1 POLYMER ELECTROLYTE MEMBRANE AND PROCESS FOR PREPARATION THEREOF, AND MEMBRANE-ELECTRODE ASSEMBLY AND POLYMER ELECTROLYTE FUEL CELL KURARAY CO., LTD. (JP) 2010-04-22 US disclosed
EP-2110875-A1 POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL Kuraray Co., Ltd. (JP) 2009-10-21 EP disclosed
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
EP-0795633-B1 POLYVINYL ALCOHOL FIBERS EXCELLENT IN RESISTANCE TO BOILING WATER AND PROCESS FOR THE PRODUCTION THEREOF KURARAY CO (JP) 2000-04-05 EP disclosed
US-5840423-A Polyvinyl alcohol-based fiber having excellent hot water resistance and production process thereof KURARAY CO., LTD. (JP) 1998-11-24 US disclosed
EP-0795633-A1 POLYVINYL ALCOHOL FIBERS EXCELLENT IN RESISTANCE TO BOILING WATER AND PROCESS FOR THE PRODUCTION THEREOF KURARAY CO., LTD. (JP) 1997-09-17 EP disclosed