SCHEMBL2229588

SCHEMBL2229588

COC(=O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COP(OCCC#N)N(C(C)C)C(C)C

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
SCHEMBL12157779 0.96
SCHEMBL5597372 0.92
SCHEMBL3739671 0.91
SCHEMBL5597368 0.86
SCHEMBL14559278 0.80
SCHEMBL25456954 0.78
SCHEMBL7754985 0.76 TSHR (0.39)
SCHEMBL16248691 0.76 TSHR (0.33)
SCHEMBL9152252 0.76 TSHR (0.35)
SCHEMBL12730964 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731781-B2 2011-07-27 JP claimed
US-7833715-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2010-11-16 US claimed
US-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH 2010-11-11 US claimed
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP claimed
EP-1257695-A4 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2005-03-02 EP claimed
JP-2003521680-A 2003-07-15 JP claimed
EP-1257695-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE Nanogen Recognomics GmbH (DE) 2002-11-20 EP claimed
WO-2001051689-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2001-07-19 WO claimed
US-8067581-B2 Biomolecules having multiple attachment moieties for binding to a substrate surface SANOFI-AVENTIS S.A. (DE) 2011-11-29 US disclosed
US-20110201080-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE SANOFI-AVENTIS S.A. (FR) 2011-08-18 US disclosed
US-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH 2010-11-11 US disclosed
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP disclosed
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP disclosed
US-7186813-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2007-03-06 US disclosed
US-7129229-B2 Hydrazide building blocks and hydrazide modified biomolecules NANOGEN RECOGNOMICS GMBH (DE) 2006-10-31 US disclosed
US-20040087807-A1 Macromolecules having hydrazide attachment moieties and reagents for their production SANOFI-AVENTIS S.A. (FR) 2004-05-06 US disclosed