SCHEMBL24916943

SCHEMBL24916943

CCC(=O)O[C@H]([C@@H](COC(=O)[C@@H](N)C(C)(C)C)OC#N)[C@@H](O)c1ccc2c(NC(=O)OCOC(C)=O)ncnn12

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
SCHEMBL24917350 0.84 — —
SCHEMBL24917144 0.84 — —
SCHEMBL24916945 0.75 — —
SCHEMBL24791758 0.72 TMPRSS2 (0.42) —
SCHEMBL24916961 0.71 — —
SCHEMBL26546004 0.70 TSHR (0.32) —
SCHEMBL24916931 0.69 TMPRSS2 (0.51) —
SCHEMBL26328104 0.69 EGLN2 (0.38) —
SCHEMBL30603746 0.69 TMPRSS2 (0.49) —
SCHEMBL26325669 0.67 EGFR (0.35) —

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
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 — — US disclosed
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