SCHEMBL24791734

SCHEMBL24791734

C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COC(=O)CC2CCC(C(F)(F)F)CC2)[C@@H](OC(=O)CC2CCC(C(F)(F)F)CC2)[C@H]1O

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
SCHEMBL24917618 0.92 DGAT1 (0.30) —
SCHEMBL24791229 0.90 — —
SCHEMBL24917249 0.88 TMPRSS2 (0.37) —
SCHEMBL25911681 0.86 — —
SCHEMBL24917058 0.86 — —
SCHEMBL24789774 0.86 TMPRSS2 (0.35) —
SCHEMBL25911809 0.85 PIK3CD (0.31) —
SCHEMBL25911671 0.85 — —
SCHEMBL24916896 0.85 POLRMT (0.33) —
SCHEMBL24789416 0.84 CA12 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 — — US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 — — US disclosed
WO-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
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