SCHEMBL1408601

SCHEMBL1408601

COc1ccc(C(OC[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
SCHEMBL4087414 1.00
SCHEMBL4772315 0.94
SCHEMBL12386211 0.91 DUT (0.30)
SCHEMBL7093044 0.91 DUT (0.30)
SCHEMBL7067321 0.90 TK2 (0.34)
SCHEMBL5861676 0.90 TK2 (0.34)
SCHEMBL5557385 0.90 TK2 (0.34)
SCHEMBL2768845 0.90 TK2 (0.34)
SCHEMBL1099028 0.90 TK2 (0.34)
SCHEMBL5878736 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013661-B2 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2018-10-24 EP disclosed
EP-2361921-B1 Bicyclo-oligonucleotide analogues EXIQON AS (DK) 2015-06-03 EP disclosed
EP-2295441-B1 Bicyclonucleoside Oligonucleotide Analogue EXIQON AS (DK) 2014-05-07 EP disclosed
EP-1013661-B1 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2012-01-18 EP disclosed
EP-2361921-A2 Novel bicyclonucleoside and oligonnucleotide analogue Exiqon A/S (DK) 2011-08-31 EP disclosed
EP-2295441-A2 Novel Bicyclonucleoside and Oligonucleotide Analogue Exiqon A/S (DK) 2011-03-16 EP disclosed
US-7034133-B2 Locked Nucleoside Analogues is a biochemical conjugate of nucleotides; as an aptamer in specific binding of antibiotics, drugs, amino acids, peptides, enzymes, saccharides, polysaccharides; heat resistance EXIQON A/S (DK) 2006-04-25 US disclosed
EP-1013661-A1 NOVEL BICYCLONUCLEOSIDE AND OLIGONUCLEOTIDE ANALOGUES Imanishi, Takeshi (JP) 2000-06-28 EP disclosed