SCHEMBL18214612

SCHEMBL18214612

CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OC[C@H]1O[C@@](C#N)(c2cnc3c(N)nc(N)nn23)[C@](C)(F)[C@@H]1O

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
SCHEMBL12397153 0.95 — —
SCHEMBL12393317 0.94 — —
SCHEMBL12761526 0.90 — —
SCHEMBL12393479 0.89 — —
SCHEMBL14996129 0.86 — —
SCHEMBL10149732 0.86 — —
SCHEMBL19997409 0.84 — —
SCHEMBL19997412 0.84 — —
SCHEMBL10148662 0.83 — —
SCHEMBL12253990 0.82 — —

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
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — EP disclosed
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