SCHEMBL2056493

SCHEMBL2056493

COC(OC)(C(=O)C(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1

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
SCHEMBL2365610 0.84 POLG (0.38)
SCHEMBL6574062 0.83
SCHEMBL5396749 0.82 POLB (0.31)
SCHEMBL5488005 0.80 POLB (0.39)
SCHEMBL8517853 0.79 LMNA (0.40)
SCHEMBL15301518 0.79 TYMP (0.35)
SCHEMBL16131335 0.79 TYMP (0.35)
SCHEMBL2674007 0.78 POLB (0.41)
SCHEMBL440942 0.77 POLB (0.38)
SCHEMBL343674 0.77 POLB (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076461-B2 antibody microarray for detecting incomplete deprotection of synthetic test oligonucleotides; high throughput assay; solid phase synthesis PROTEOME SCIENCES PLC (GB) 2011-12-13 US disclosed
US-7901892-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-08 US disclosed