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Sugi Predict / Compounds / SCHEMBL30921712

SCHEMBL30921712

SCHEMBL30921712

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.33
▸ FAP Q12884 2/20 0.31

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
SCHEMBL30921706 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921694 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921692 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL30921670 0.88 TMPRSS2 (0.34) TMPRSS2FAP
SCHEMBL30939788 0.88 TMPRSS2 (0.30) TMPRSS2
SCHEMBL30921672 0.87 TMPRSS2 (0.34) TMPRSS2FAP
SCHEMBL25821655 0.85 TMPRSS2 (0.44) TMPRSS2FAP
SCHEMBL31684220 0.84 TMPRSS2 (0.33) TMPRSS2FAP
SCHEMBL30939768 0.83 TMPRSS2 (0.35) TMPRSS2FAP
SCHEMBL31684172 0.83 TMPRSS2 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120464-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2024-06-13 — — WO disclosed
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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