SCHEMBL30931403

SCHEMBL30931403

CCCCCOC(=O)Nc1ncnn2c([C@]3(C#N)OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4OC(C)(C)O[C@H]43)ccc12

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.38

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
SCHEMBL30090957 1.00 TMPRSS2 (0.38) TMPRSS2
SCHEMBL24790558 0.92 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30931371 0.92 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30091026 0.90 TMPRSS2 (0.46) TMPRSS2
SCHEMBL30931380 0.88 TMPRSS2 (0.48) TMPRSS2
SCHEMBL30090991 0.88 TMPRSS2 (0.48) TMPRSS2
SCHEMBL25909436 0.87 TMPRSS2 (0.43) TMPRSS2
SCHEMBL30931404 0.87 TMPRSS2 (0.47) TMPRSS2
SCHEMBL24917812 0.87 TMPRSS2 (0.47) TMPRSS2
SCHEMBL25909896 0.85 TMPRSS2 (0.39) 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
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 — — CN disclosed
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