SCHEMBL3987148

SCHEMBL3987148

CC(=O)CC(=O)N[C@H]1CCOC1=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
SCHEMBL4400038 1.00
SCHEMBL18523070 0.87
SCHEMBL15687773 0.84
SCHEMBL14169375 0.84
SCHEMBL13528788 0.84
SCHEMBL19538675 0.84
SCHEMBL3992933 0.83
SCHEMBL764242 0.83
SCHEMBL515191 0.82 KDM4E (0.52)
SCHEMBL12409488 0.82 KDM4E (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322112-B2 Compound combinations for attenuation of bacterial virulence WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 US disclosed
US-9078461-B2 Processing biomass XYLECO, INC. (US) 2015-07-14 US disclosed
US-9078461-B2 Processing biomass XYLECO, INC. (US) 2015-07-14 US disclosed
US-20130266556-A9 PROCESSING BIOMASS XYLECO, INC. (US) 2013-10-10 US disclosed
US-20130266556-A9 PROCESSING BIOMASS XYLECO, INC. (US) 2013-10-10 US disclosed
US-20110081336-A1 PROCESSING BIOMASS XYLECO, INC. (US) 2011-04-07 US disclosed
US-20110081336-A1 PROCESSING BIOMASS XYLECO, INC. (US) 2011-04-07 US disclosed
US-20090257995-A1 HARMFUL BACTERIUM CONTROL AGENT CONTAINING BACILLUS THURINGIENSIS IDEMITSU KOSAN CO., LTD. (JP) 2009-10-15 US disclosed
US-7537906-B2 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone Nomura, Nobuhiko (JP) 2009-05-26 US disclosed
CN-101309696-A Harmful bacterium control agent containing bacillus thuringiensis IDEMITSU KOSAN CO (JP) 2008-11-19 CN disclosed
EP-1967196-A1 HARMFUL BACTERIUM CONTROL AGENT CONTAINING BACILLUS THURINGIENSIS Idemitsu Kosan Co., Ltd. (JP) 2008-09-10 EP disclosed
US-20040229944-A1 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone NIPPON SHOKUBAI CO., LTD. (JP) 2004-11-18 US disclosed
EP-1442742-A1 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone Nomura, Nobuhiko (JP) 2004-08-04 EP disclosed
EP-0580692-B1 AUTOINDUCER UNIV NOTTINGHAM (GB) 2003-08-13 EP disclosed
US-5593827-A N-(BETA-KETOCAPROYL) HOMOSERINE LACTONE OR ANALOGUE THE UNIVERSITY OF NOTTINGHAM (GB) 1997-01-14 US disclosed
EP-0580692-A1 AUTOINDUCER THE UNIVERSITY OF NOTTINGHAM (GB) 1994-02-02 EP disclosed
WO-1992018614-A1 AUTOINDUCER THE UNIVERSITY OF NOTTINGHAM (GB) 1992-10-29 WO disclosed