SCHEMBL2858818

SCHEMBL2858818

CC#CC(C)(C)NC(=O)C(Br)COC

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
SCHEMBL5651933 0.94
SCHEMBL4613232 0.86
SCHEMBL6172426 0.84
SCHEMBL2863347 0.81 ALDH1A1 (0.35)
SCHEMBL9510245 0.81 ALDH1A1 (0.35)
SCHEMBL4613689 0.70 SMN1; SMN2 (0.33)
SCHEMBL6252984 0.69 ALDH1A1 (0.32)
SCHEMBL4612427 0.68 GRN (0.33)
SCHEMBL5161306 0.68 ALDH1A1 (0.33)
SCHEMBL1361475 0.67 L3MBTL1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633730-B1 N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES SYNGENTA LTD (GB) 2010-01-20 EP disclosed
US-7371764-B2 Quinolin-isoquinolin-and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2008-05-13 US disclosed
EP-1567480-B1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2008-03-12 EP disclosed
EP-1567010-B1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-10-24 EP disclosed
US-7271130-B2 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2007-09-18 US disclosed
US-20070197472-A1 N-Alkynyl-2-Heteroaryloxyalkylamides For Use As Fungicides SYNGENTA LIMITED (GB) 2007-08-23 US disclosed
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-03-29 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
EP-1633730-A1 N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES Syngenta Limited (GB) 2006-03-15 EP disclosed
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-01-26 US disclosed
EP-1567480-A1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
EP-1567010-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 US disclosed
WO-2004108694-A1 N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2004047538-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed
WO-2004048316-A1 N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 WO disclosed