SCHEMBL1613565

SCHEMBL1613565

O=[N+]([O-])C(O)(O)CBr

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
SCHEMBL7703086 0.78
SCHEMBL7858331 0.74
SCHEMBL8134614 0.73
SCHEMBL6470024 0.71
SCHEMBL28231740 0.71
SCHEMBL6675733 0.69
SCHEMBL6675728 0.69
Water SCHEMBL11436352 0.69 TSHR (0.38)
SCHEMBL28415354 0.67
SCHEMBL7781961 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200659-A1 Esters with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS (US) 2016-07-14 US disclosed
US-9290437-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2016-03-22 US disclosed
US-20150094480-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2015-04-02 US disclosed
US-8901332-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-12-02 US disclosed
US-20140275444-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-09-18 US disclosed
US-8742151-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-06-03 US disclosed
US-20130131365-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties TPAT IP LLC 2013-05-23 US disclosed
US-20120116115-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties DALY THOMAS (US) 2012-05-10 US disclosed
US-20110087040-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties DALY THOMAS 2011-04-14 US disclosed
US-7655819-B2 Polymers with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC (US) 2010-02-02 US disclosed
US-20090137838-A1 Esters with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS 2009-05-28 US disclosed
US-7439376-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC (US) 2008-10-21 US disclosed
US-20070276038-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2007-11-29 US disclosed
US-7193101-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP (US) 2007-03-20 US disclosed
US-20060217517-A1 Polymers with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2006-09-28 US disclosed
US-20060069226-A1 Method of producing esters with antimicrobial bioresistant and fungal resistant properties TPAT IP LLC 2006-03-30 US disclosed
US-20050287094-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2005-12-29 US disclosed
WO-2005003088-A2 ESTERS WITH ANTIMICROBIAL, BIORESISTANT AND FUNGAL RESISTANT PROPERTIES DALY THOMAS (US) 2005-01-13 WO disclosed
US-20040002552-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2004-01-01 US disclosed
US-20030166823-A1 Polymers with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS (US) 2003-09-04 US disclosed