SCHEMBL30921676

SCHEMBL30921676

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

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
SCHEMBL30921695 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921668 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921692 0.90 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921694 0.90 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921706 0.90 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30939817 0.89 TMPRSS2 (0.42) TMPRSS2
SCHEMBL31684073 0.89 TMPRSS2 (0.42) TMPRSS2
SCHEMBL31684069 0.89 TMPRSS2 (0.42) TMPRSS2
SCHEMBL30921690 0.88 TMPRSS2 (0.34) TMPRSS2
SCHEMBL30939762 0.86 TMPRSS2 (0.33) 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-118165034-A Nucleotide compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2024-06-11 — — CN disclosed
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