SCHEMBL26823610

SCHEMBL26823610

COC(=O)OC[C@@]1(C#N)O[C@@H](c2ccc3c(/N=C\N(C)C)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21

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
SCHEMBL26823591 0.94 — —
SCHEMBL31441289 0.92 — —
SCHEMBL30568752 0.90 — —
SCHEMBL25392778 0.90 — —
SCHEMBL25392785 0.90 — —
SCHEMBL31441272 0.89 — —
SCHEMBL26831493 0.89 — —
SCHEMBL25390839 0.87 POLRMT (0.34) —
SCHEMBL25390850 0.87 POLRMT (0.34) —
SCHEMBL25393033 0.87 KDM4E (0.31) —

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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 — — US disclosed
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 — — US disclosed
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