SCHEMBL25218817

SCHEMBL25218817

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.46
▸ POLRMT O00411 1/20 0.32

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
SCHEMBL30090997 0.88 TMPRSS2 (0.42) TMPRSS2POLRMT
SCHEMBL16519861 0.88 TMPRSS2 (0.49) TMPRSS2POLRMT
SCHEMBL23960046 0.86 TMPRSS2 (0.48) TMPRSS2POLRMT
SCHEMBL14681870 0.85 TMPRSS2 (0.47) TMPRSS2POLRMT
SCHEMBL26755222 0.85 TMPRSS2 (0.48) TMPRSS2POLRMT
SCHEMBL26003158 0.85 TMPRSS2 (0.50) TMPRSS2POLRMT
SCHEMBL25909499 0.85 TMPRSS2 (0.51) TMPRSS2POLRMT
SCHEMBL24313286 0.84 TMPRSS2 (0.50) TMPRSS2POLRMT
SCHEMBL24791784 0.84 TMPRSS2 (0.34) TMPRSS2
SCHEMBL30931401 0.84 TMPRSS2 (0.34) 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-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
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