SCHEMBL31239307

SCHEMBL31239307

CC1(OC(=O)O[C@H]2O[C@@](C#N)(c3ccc4c(N)ncnn34)[C@H](O)[C@@H]2O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39

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
SCHEMBL31239302 1.00 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239301 1.00 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239311 0.97 TMPRSS2 (0.40) TMPRSS2
SCHEMBL31239300 0.96 TMPRSS2 (0.41) TMPRSS2
SCHEMBL30165917 0.88 TMPRSS2 (0.40) TMPRSS2
Bromide SCHEMBL30165903 0.88 TMPRSS2 (0.40) TMPRSS2
SCHEMBL30516180 0.87 TMPRSS2 (0.41) TMPRSS2
SCHEMBL26206288 0.86 TMPRSS2 (0.44) TMPRSS2
SCHEMBL26206284 0.86 TMPRSS2 (0.44) TMPRSS2
SCHEMBL26206268 0.86 TMPRSS2 (0.44) 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-118786128-A Compounds and methods for treating viral infections 吉利德科学公司 2024-10-15 — — CN disclosed
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