SCHEMBL13650028

SCHEMBL13650028

COC(=O)CNc1nc(SC)nc2c1c([N+](=O)[O-])cn2C1O[C@H](COC(C)=O)[C@@H](OC(C)=O)C1(C)OC(C)=O

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
SCHEMBL13870386 0.93 — —
SCHEMBL13726434 0.88 — —
SCHEMBL4020373 0.87 XDH (0.34) —
SCHEMBL13650025 0.86 ALDH1A1 (0.33) —
SCHEMBL13650036 0.86 LMNA (0.30) —
SCHEMBL13839391 0.82 — —
SCHEMBL13725452 0.82 — —
SCHEMBL13839396 0.80 — —
SCHEMBL13725076 0.77 LMNA (0.33) —
SCHEMBL4020271 0.76 ALDH1A1 (0.35) —

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-20090253648-A1 Tricyclic-Nucleoside Compounds for Treating Viral Infections SMITHKLINE BEECHAM CORPORATION (US) 2009-10-08 — — US disclosed
US-20090048189-A1 TRICYCLIC-NUCLEOSIDE COMPOUNDS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. 2009-02-19 — — US disclosed
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