SCHEMBL31684199

SCHEMBL31684199

CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30939830 1.00 — —
SCHEMBL31684229 1.00 — —
SCHEMBL24149256 0.96 TMPRSS2 (0.31) —
SCHEMBL31684142 0.94 CYP3A4 (0.30) —
SCHEMBL30939764 0.94 CYP3A4 (0.30) —
SCHEMBL31684108 0.94 CYP3A4 (0.30) —
SCHEMBL31684233 0.91 TMPRSS2 (0.31) —
SCHEMBL31684211 0.91 TMPRSS2 (0.37) —
SCHEMBL31684112 0.91 TMPRSS2 (0.37) —
SCHEMBL31684235 0.91 TMPRSS2 (0.37) —

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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