SCHEMBL31069860

SCHEMBL31069860

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OC)O[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)OCc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.33

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
SCHEMBL25967733 0.87 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30464570 0.86 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30464547 0.85 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30464519 0.85 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30464557 0.85 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30464554 0.85 TMPRSS2 (0.37) TMPRSS2
SCHEMBL30464612 0.84 TMPRSS2 (0.34) TMPRSS2
SCHEMBL30464585 0.84 TMPRSS2 (0.34) TMPRSS2
SCHEMBL30464621 0.83 TMPRSS2 (0.32) TMPRSS2
SCHEMBL30464572 0.83 TMPRSS2 (0.31) 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-118591377-A Antiviral prodrugs, intermediate and long acting formulations and methods 加利福尼亚大学董事会 2024-09-03 — — CN disclosed
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