SCHEMBL13650031

SCHEMBL13650031

CSc1nc(N)c2c(NC(=O)OC(C)(C)C)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
SCHEMBL13650035 0.89 — —
SCHEMBL4020234 0.87 ABL1 (0.36) —
SCHEMBL13725076 0.86 LMNA (0.33) —
SCHEMBL13650036 0.82 LMNA (0.30) —
SCHEMBL4013424 0.81 XDH (0.32) —
SCHEMBL4013900 0.81 ALDH1A1 (0.33) —
SCHEMBL13650039 0.78 ENPP1 (0.32) —
SCHEMBL13839395 0.78 ENPP1 (0.32) —
SCHEMBL13839389 0.76 — —
SCHEMBL13725728 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253648-A1 Tricyclic-Nucleoside Compounds for Treating Viral Infections SMITHKLINE BEECHAM CORPORATION (US) 2009-10-08 — — US disclosed
US-7524825-B2 Tricyclic-nucleoside compounds for treating viral infections SMITHKLINE BEECHAM CORPORATION (US) 2009-04-28 — — US disclosed
US-20090048189-A1 TRICYCLIC-NUCLEOSIDE COMPOUNDS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. 2009-02-19 — — US disclosed
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