SCHEMBL6830789

SCHEMBL6830789

COc1ccc(C(OC[C@H]2O[C@@](C#N)(n3cc(C)c(=O)[nH]c3=O)CC2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.38
TYMP P19971 1/20 0.37
TK2 O00142 13/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8931920 0.87 TYMP (0.37) TK1TYMPTK2
SCHEMBL8932051 0.87 TYMP (0.37) TK1TYMPTK2
SCHEMBL8931972 0.87 TYMP (0.37) TK1TYMPTK2
SCHEMBL8931986 0.87 TYMP (0.37) TK1TYMPTK2
SCHEMBL8931958 0.87 TYMP (0.38) TK1TYMPTK2
SCHEMBL6830774 0.86 TYMP (0.42) TK1TYMPTK2
SCHEMBL8931949 0.86 TYMP (0.36) TK1TYMPTK2
SCHEMBL8932103 0.86 TYMP (0.36) TK1TYMPTK2
SCHEMBL8932013 0.85 TYMP (0.36) TK1TYMPTK2
SCHEMBL8932120 0.84 TYMP (0.36) TK1TYMPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-6191266-B1 MODIFIED TO COMPRISE SUBSTITUTIONS AT POSITIONS C1', C3', C4' OR C5' OF THE SUGAR MOIETY OF THE NUCLEOSIDE, INCLUDING AN OPTIONAL 3' PHOSPHOROAMIDITE GROUP; USE IN MAKING NUCLEASE RESISTANT OLIGONUCLEOTIDES FOR ANTISENSE THERAPY ICN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed