SCHEMBL4230438

SCHEMBL4230438

C=CCNC1(N)N=C2N=CN=C2C(=O)N1

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
SCHEMBL3305612 0.75
SCHEMBL27553160 0.75
SCHEMBL6536480 0.70 MPO (0.31)
SCHEMBL214953 0.68
SCHEMBL789177 0.66
SCHEMBL6681436 0.65 ALDH1A1 (0.34)
SCHEMBL8046859 0.65
SCHEMBL18992251 0.64
SCHEMBL7062693 0.62
SCHEMBL7063130 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117838-B1 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS INC (US) 2009-05-13 EP disclosed
EP-1117838-A4 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS INC (US) 2007-05-02 EP disclosed
US-20050053972-A1 Method for identifying polymorphisms STANTON VINCE P (US) 2005-03-10 US disclosed
US-6825009-B2 HYBRID POLYNUCLEOTIDES; LABELING VARIAGENICS, INC. 2004-11-30 US disclosed
US-20030134290-A1 Method for identifying polymorphisms NUVELO, INC. 2003-07-17 US disclosed
US-6582923-B2 Determination of nucleotide sequences VARIAGENICS, INC. 2003-06-24 US disclosed
US-6566059-B1 Method for analyzing polynucleotides VARIAGENICS, INC. 2003-05-20 US disclosed
US-20030087398-A1 Method for analyzing polynucleotides NUVELO, INC. 2003-05-08 US disclosed
US-6500650-B1 Method for identifying polymorphisms VARIAGENICS, INC. 2002-12-31 US disclosed
US-6458945-B1 DETECTING VARIANCE IN NUCLEOTIDE SEQUENCE; MIXING ADENOSINE-CYTOSINE-, THYMIDINE-, OR URIDINE TRIPHOSPHATE WITH NUCLEOTIDE IN PRESENCE OF POLYMERASE VARIAGENICS, INC. 2002-10-01 US disclosed
US-6440705-B1 DETECTION OF VARIANCE IN NUCLEOTIDE SEQUENCE WITHOUT THE NEED FOR FULL SEQUENCE DETERMINATION; GENOTYPING AND LABELING WHILE CLEAVING DNA STRANDS; ELECTROPHORESIS NUVELO, INC. 2002-08-27 US disclosed
WO-2002021098-A2 A METHOD FOR IDENTIFYING POLYMORPHISMS VARIAGENICS, INC. (US) 2002-03-14 WO disclosed
EP-1117838-A1 A METHOD FOR ANALYZING POLYNUCLEOTIDES Variagenics, Inc. (US) 2001-07-25 EP disclosed
WO-2000018967-A1 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS, INC. (US) 2000-04-06 WO disclosed