SCHEMBL31684098

SCHEMBL31684098

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.38
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 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
SCHEMBL31684218 1.00 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2D6
SCHEMBL31684092 1.00 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2D6
SCHEMBL30921693 0.92 TMPRSS2 (0.39) TMPRSS2CYP3A4CYP2D6
SCHEMBL25821655 0.91 TMPRSS2 (0.44) TMPRSS2
SCHEMBL31684130 0.90 TMPRSS2 (0.30) TMPRSS2
SCHEMBL31684150 0.90 TMPRSS2 (0.30) TMPRSS2
SCHEMBL31684100 0.90 TMPRSS2 (0.30) TMPRSS2
SCHEMBL31684099 0.90 TMPRSS2 (0.30) TMPRSS2
SCHEMBL31684117 0.90 TMPRSS2 (0.30) TMPRSS2
SCHEMBL30939836 0.90 TMPRSS2 (0.30) 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
EP-4617278-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2025-09-17 — — EP disclosed
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