SCHEMBL2260942

SCHEMBL2260942

CN(C)C1=CCN(C#N)C(Br)=C1

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
SCHEMBL6556863 0.63
Bromide SCHEMBL2260939 0.62
Fluoride SCHEMBL28230601 0.61
SCHEMBL1041558 0.59
SCHEMBL4458780 0.52
SCHEMBL11289848 0.52
SCHEMBL7184715 0.52
Bromide SCHEMBL28720815 0.50
SCHEMBL1413307 0.49
SCHEMBL3696697 0.46 MEN1 (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46171-E1 Functional biopolymer modification reagents and uses thereof SOLULINK, INCORPORATED (US) 2016-10-04 US disclosed
US-7999098-B2 Triphosphate oligonucleotide modification reagents and uses thereof SOLULINK BIOSCIENCES, INC. (US) 2011-08-16 US disclosed
US-7732628-B2 Such as 4-[8-(2-cyanoethyl-N,N-diisopropylphosphoramidyloxy)-2-aza-1-oxooct-1-yl]benzaldehyde, 4-[8-(2-cyanoethyl-N,N-diisopropylphosphoramidyloxy)-2-aza-1-oxooct-1-yl]acetophenone; for incorporation into oligonucleotides during immobilization and conjugation of biopolymers in solid phase synthesis SOLULINK INCORPORATED (US) 2010-06-08 US disclosed
US-20070179288-A1 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2007-08-02 US disclosed
US-7173125-B2 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2007-02-06 US disclosed
US-7102024-B1 Functional biopolymer modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2006-09-05 US disclosed
US-20050203289-A1 Functional biopolymer modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2005-09-15 US disclosed
US-20040214199-A1 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2004-10-28 US disclosed
US-6686461-B1 HYDRAZINO, OXYAMINO AND CARBONYL-BASED MONOMERS AND METHODS FOR LABELLING OF OLIGONUCLEOTIDES WITHOUT THE NEED FOR POST-SYNTHETIC MODIFICATION SOLULINK BIOSCIENCE, INC. 2004-02-03 US disclosed
EP-1305327-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF Schwartz, David A. (US) 2003-05-02 EP disclosed
WO-2002010432-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF SCHWARTZ DAVID A (US) 2002-02-07 WO disclosed
WO-2002010431-A2 FUNCTIONAL BIOPOLYMER MODIFICATION REAGENTS AND USES THEREOF SCHWARTZ DAVID A (US) 2002-02-07 WO disclosed