SCHEMBL25607765

SCHEMBL25607765

C[C@@H](C(=O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.45
▸ RIPK1 Q13546 9/20 0.38
▸ 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
SCHEMBL25608866 1.00 TMPRSS2 (0.45) TMPRSS2RIPK1POLRMT
Obeldesivir SCHEMBL27216326 0.90 TMPRSS2 (0.49) TMPRSS2RIPK1POLRMT
Obeldesivir SCHEMBL23959875 0.90 TMPRSS2 (0.49) TMPRSS2RIPK1POLRMT
SCHEMBL26206380 0.90 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL26206378 0.90 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL24606264 0.89 TMPRSS2 (0.48) TMPRSS2RIPK1POLRMT
SCHEMBL24418858 0.89 TMPRSS2 (0.48) TMPRSS2RIPK1POLRMT
SCHEMBL24606263 0.89 TMPRSS2 (0.48) TMPRSS2RIPK1POLRMT
SCHEMBL25609908 0.89 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL25910110 0.89 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT

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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