SCHEMBL24916985

SCHEMBL24916985

CC(C)(C)[C@@H](N)C(=O)OC[C@H]1C[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1OC(=O)CC1CCCCC1

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
SCHEMBL24917867 0.90 TMPRSS2 (0.32) —
SCHEMBL24916982 0.88 CTSS (0.31) —
SCHEMBL24917868 0.88 CTSS (0.31) —
SCHEMBL24917360 0.85 DOT1L (0.33) —
SCHEMBL24916998 0.85 DOT1L (0.33) —
SCHEMBL24791756 0.84 TMPRSS2 (0.36) —
SCHEMBL25924166 0.84 TMPRSS2 (0.36) —
SCHEMBL24917349 0.84 TMPRSS2 (0.36) —
SCHEMBL24917053 0.84 REN (0.38) —
SCHEMBL24917245 0.84 CTSK (0.31) —

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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