SCHEMBL30491111

SCHEMBL30491111

CC(C)COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

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
SCHEMBL25014010 0.96 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24149445 0.95 TMPRSS2 (0.33) TMPRSS2
SCHEMBL24149438 0.95 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24149439 0.95 TMPRSS2 (0.35) TMPRSS2
SCHEMBL30269865 0.94 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30491118 0.94 TMPRSS2 (0.34) TMPRSS2
SCHEMBL24149844 0.94 TMPRSS2 (0.33) TMPRSS2
SCHEMBL25013556 0.94 CYP3A4 (0.34) TMPRSS2
SCHEMBL24149796 0.93 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24149795 0.93 TMPRSS2 (0.32) 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
EP-4172160-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-05-03 — — EP disclosed
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