SCHEMBL2706989

SCHEMBL2706989

CC(C)(C)C1CCC(C(C)(C)C)O1

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
SCHEMBL21538323 0.87
SCHEMBL19565538 0.82
SCHEMBL19565535 0.82
SCHEMBL19565523 0.82
SCHEMBL19565540 0.82
SCHEMBL19565539 0.82
SCHEMBL14134601 0.80
SCHEMBL12113356 0.74 CYP2A6 (0.33)
SCHEMBL12379124 0.74
SCHEMBL12417870 0.74 EPHX1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475783-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-25 US disclosed
US-9427425-B2 Extracts, fractions and compositions comprising acetogenins and their applications LAILA NUTRACEUTICALS (IN) 2016-08-30 US disclosed
US-20160214988-A1 Antimicrobial Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2016-07-28 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150031694-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-01-29 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20140056987-A1 COMPOSITIONS COMPRISING EXTRACTS OR FRACTIONS DERIVED FROM ANNONA SQUAMOSA FOR THE PREVENTION, TREATMENT OR CONTROL OF INFLAMMATORY AND METABOLIC DISORDERS LAILA NUTRACEUTICALS (IN) 2014-02-27 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
EP-1425318-B1 ACTIVATING ORGANOMETALLIC COMPOSITION FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS COMPRISING FLUORINATED CYCLOPENTADIENYL COMPOUNDS VERSALIS SPA (IT) 2013-01-16 EP disclosed
US-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS LAlLA NUTRACEUTICALS (IN) 2012-08-09 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7081505-B2 Activating organometallic composition for the (co) polymerization of alpha-olefins comprising fluorinated cyclopentadienyl compounds POLIMERI EUROPA S.P.A. (IT) 2006-07-25 US disclosed
US-20040198934-A1 Activating organometallic composition for the (co) polymerization of alpha-olefins comprising fluorinated cyclopentadienyl compounds POLIMERI EUROPA S.P.A. (IT) 2004-10-07 US disclosed
EP-1425318-A1 ACTIVATING ORGANOMETALLIC COMPOSITION FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS COMPRISING FLUORINATED CYCLOPENTADIENYL COMPOUNDS Polimeri Europa S.p.A. (IT) 2004-06-09 EP disclosed
WO-2003010210-A1 ACTIVATING ORGANOMETALLIC COMPOSITION FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS COMPRISING FLUORINATED CYCLOPENTADIENYL COMPOUNDS POLIMERI EUROPA S.P.A. (IT) 2003-02-06 WO disclosed
US-6274529-B1 COORDINATION CATALYST CONTAINS METALLOCENE OF HAFNIUM, TITANIUM, OR ZIRCONIUM, AND HETEROCOMPOUND CONTAINING OXYGEN, NITROGEN, SULFUR, AND/OR PHOSPHORUS ENICHEM S.P.A. (IT) 2001-08-14 US disclosed
EP-0771822-A1 Catalytic system for the (co)polymerization of alpha-olefins ENICHEM S.p.A. (IT) 1997-05-07 EP disclosed