SCHEMBL30921670

SCHEMBL30921670

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

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.34
▸ FAP Q12884 2/20 0.32
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL30939818 0.92 TMPRSS2 (0.30) TMPRSS2
SCHEMBL30921695 0.92 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921668 0.92 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921712 0.88 TMPRSS2 (0.33) TMPRSS2FAP
SCHEMBL25821655 0.87 TMPRSS2 (0.44) TMPRSS2FAPRIPK1
SCHEMBL30921672 0.85 TMPRSS2 (0.34) TMPRSS2FAPRIPK1
SCHEMBL30939768 0.85 TMPRSS2 (0.35) TMPRSS2FAP
SCHEMBL31684090 0.84 TMPRSS2 (0.35) TMPRSS2FAP
SCHEMBL30939864 0.84 TMPRSS2 (0.34) TMPRSS2FAP
SCHEMBL31684151 0.84 TMPRSS2 (0.34) TMPRSS2FAP

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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