SCHEMBL13610670

SCHEMBL13610670

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCNC(=O)[C@@H](C)c4ccc(CC(C)C)cc4)c(=O)[nH]c3=O)C[C@H]2OP(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
SCHEMBL12259024 1.00
SCHEMBL12259020 0.93 CA4 (0.30)
SCHEMBL13610655 0.93 CA4 (0.30)
SCHEMBL28636366 0.87 TYMS (0.30)
SCHEMBL29414478 0.87 TYMS (0.30)
SCHEMBL13403288 0.87 TYMS (0.30)
SCHEMBL18133272 0.86 TYMP (0.33)
SCHEMBL13610657 0.83 TK2 (0.33)
SCHEMBL13032488 0.83 TK2 (0.33)
SCHEMBL31228055 0.81 TYMS (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 US disclosed