SCHEMBL13839389

SCHEMBL13839389

CSc1nc(/N=C/N(C)C)c2c(NC(=O)CCl)cn(C3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@]3(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
SCHEMBL13725728 1.00 — —
SCHEMBL13839392 0.87 — —
SCHEMBL13725935 0.87 — —
SCHEMBL13725452 0.85 — —
SCHEMBL13839391 0.85 — —
SCHEMBL13725934 0.84 — —
SCHEMBL13839390 0.84 — —
SCHEMBL13650035 0.81 — —
SCHEMBL13726434 0.79 — —
SCHEMBL13650031 0.76 — —

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-7534771-B2 Tricyclic-nucleoside prodrugs for treating viral infections SMITHKLINE BEECHAM CORPORATION (US) 2009-05-19 — — US disclosed
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