SCHEMBL26200419

SCHEMBL26200419

CNc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)C(C)C)[C@H]4OC(C)(C)O[C@H]43)ccc12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL26545484 0.90 TMPRSS2 (0.42) TMPRSS2
SCHEMBL24312613 0.89 TMPRSS2 (0.38) TMPRSS2
SCHEMBL26545485 0.88 TMPRSS2 (0.41) TMPRSS2
SCHEMBL26545488 0.87 TMPRSS2 (0.40) TMPRSS2
SCHEMBL25909492 0.84 TMPRSS2 (0.38) TMPRSS2
SCHEMBL24917043 0.84 TMPRSS2 (0.40) TMPRSS2
SCHEMBL31110276 0.83 TMPRSS2 (0.34) TMPRSS2
SCHEMBL25383648 0.83 TMPRSS2 (0.42) TMPRSS2
SCHEMBL31239296 0.83 TMPRSS2 (0.42) TMPRSS2
SCHEMBL26206552 0.83 TMPRSS2 (0.42) TMPRSS2

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
WO-2023167938-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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