SCHEMBL18214672

SCHEMBL18214672

CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@@](F)(C#N)[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
SCHEMBL10149732 0.91 — —
SCHEMBL10148662 0.85 — —
SCHEMBL18697933 0.82 — —
SCHEMBL18214612 0.78 — —
SCHEMBL881388 0.78 — —
SCHEMBL12397153 0.78 — —
SCHEMBL18214657 0.77 POLRMT (0.38) —
SCHEMBL10149731 0.76 — —
SCHEMBL12393317 0.75 — —
SCHEMBL12761526 0.75 — —

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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