SCHEMBL13725935

SCHEMBL13725935

CSc1nc(/N=C/N(C)C)c2c(N)cn(C3O[C@H](COC(C)=O)[C@@H](OC(C)=O)C3(C)OC(C)=O)c2n1

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
SCHEMBL13839392 1.00 — —
SCHEMBL13725452 0.89 — —
SCHEMBL13839391 0.89 — —
SCHEMBL13725934 0.88 — —
SCHEMBL13839390 0.88 — —
SCHEMBL13839389 0.87 — —
SCHEMBL13725728 0.87 — —
SCHEMBL13725076 0.86 LMNA (0.33) —
SCHEMBL13650036 0.78 LMNA (0.30) —
SCHEMBL13650023 0.76 LMNA (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208457-A1 Tricyclic-Nucleoside Prodrugs for Treating Viral Infections SMITHKLINE BEECHAM CORPORATION (US) 2009-08-20 — — US disclosed
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