SCHEMBL23818619

SCHEMBL23818619

COC(C#N)(COCN[C@@H](C)C(=O)OC1CCC1)[C@@H](O)[C@@H](O)c1ccc2c(N)ncnn12

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
SCHEMBL23818486 0.98 — —
SCHEMBL26291726 0.98 — —
SCHEMBL23818968 0.92 — —
SCHEMBL23818876 0.91 EGLN2 (0.32) —
SCHEMBL23818962 0.91 EGLN2 (0.32) —
SCHEMBL26290880 0.91 JAK2 (0.30) —
SCHEMBL26295044 0.90 — —
SCHEMBL26297926 0.90 — —
SCHEMBL26295061 0.89 — —
SCHEMBL23818946 0.89 RIPK1 (0.32) —

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
US-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 — — US disclosed
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