SCHEMBL5132479

SCHEMBL5132479

C=CCC(C)C(N)CN

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
SCHEMBL13724077 0.79
SCHEMBL24352948 0.76
SCHEMBL24540965 0.76 METAP1 (0.33)
SCHEMBL8957122 0.76
SCHEMBL2435309 0.76
SCHEMBL13957051 0.76
SCHEMBL3250426 0.74 TSHR (0.32)
SCHEMBL11209380 0.74 ALDH1A1 (0.35)
SCHEMBL19413595 0.72 GRIK1 (0.30)
SCHEMBL6370992 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40557-E1 Methods for labeling nucleotides, labeled nucleotides and useful intermediates KREATECH BIOTECHNOLOGY B.V. (NL) 2008-10-28 US disclosed
US-7217813-B2 Labeling with organoplatinum compound, may be used as probes in biomedical research, clinical diagnostics and recombinant DNA technology KREATECH BIOTECHNOLOGY B.V. (NL) 2007-05-15 US disclosed
US-20050118621-A1 Methods for labeling nucleotides, labeled nucleotides and useful intermediates KREATECH BIOTECHNOLOGY B.V. 2005-06-02 US disclosed
US-6797818-B2 LABELING WITH ORGANOPLATINUM COMPOUND KREATECH BIOTECHNOLOGY B.V. (NL) 2004-09-28 US disclosed
US-20020160396-A1 Methods for labeling nucleotides, labeled nucleotides and useful intermediates PRIMOSA INTERNATIONAL N.V. (AN) 2002-10-31 US disclosed
EP-0937090-B1 METHODS FOR LABELING NUCLEOTIDES, LABELED NUCLEOTIDES AND USEFUL INTERMEDIATES KREATECH BIOTECH BV (NL) 2002-08-07 EP disclosed
US-6338943-B1 NUCLEOTIDE LABELS KREATECH BIOTECHNOLOGY B.V. (NL) 2002-01-15 US disclosed