SCHEMBL209741

SCHEMBL209741

COc1ccc(C(OC=CC[C@@]23CO[C@@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

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
SCHEMBL1408601 0.90
SCHEMBL4087414 0.90
SCHEMBL209143 0.86 P2RY6 (0.33)
SCHEMBL4772315 0.85
SCHEMBL4078483 0.85
SCHEMBL213524 0.85
SCHEMBL2193904 0.85
SCHEMBL209161 0.85
SCHEMBL2198175 0.85
SCHEMBL3134430 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-2066684-B1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2012-07-18 EP disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8088746-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7750131-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-7666854-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-7547684-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-06-16 US disclosed
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC 2007-12-13 US disclosed