SCHEMBL30931391

SCHEMBL30931391

CC(C)C(=O)O[C@H]1O[C@@](C#N)(c2ccc3c(NC(=O)[C@@H](N)C(C)C)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.48

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
SCHEMBL24789432 0.88 TMPRSS2 (0.54) TMPRSS2
SCHEMBL24789768 0.86 TMPRSS2 (0.53) TMPRSS2
SCHEMBL30931386 0.86 TMPRSS2 (0.45) TMPRSS2
SCHEMBL24789737 0.85 TMPRSS2 (0.55) TMPRSS2
SCHEMBL24789766 0.85 TMPRSS2 (0.66) TMPRSS2
SCHEMBL25318315 0.85 TMPRSS2 (0.66) TMPRSS2
SCHEMBL24917116 0.84 TMPRSS2 (0.54) TMPRSS2
SCHEMBL30931387 0.84 TMPRSS2 (0.47) TMPRSS2
SCHEMBL24917118 0.84 TMPRSS2 (0.54) TMPRSS2
SCHEMBL25913879 0.84 TMPRSS2 (0.54) 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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