SCHEMBL12931040

SCHEMBL12931040

[2H]OC[C@H]1O[C@@H](B)[C@@H](O[Si](C)(C)C(C)(C)C)C1OP(=O)(NC)OCC[N+]#[C-]

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
SCHEMBL12931041 0.88 — —
SCHEMBL12920244 0.72 — —
SCHEMBL12386292 0.67 — —
SCHEMBL12049857 0.66 L3MBTL1 (0.31) —
SCHEMBL12769537 0.66 L3MBTL1 (0.31) —
SCHEMBL12990383 0.62 LGALS8 (0.31) —
SCHEMBL12920231 0.62 — —
SCHEMBL413640 0.62 — —
SCHEMBL15763701 0.62 — —
SCHEMBL15763702 0.61 — —

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-20110009606-A1 Synthesis of 2',3' - and 3',5' -cyclic phosphate mono-and oligonucleotides CHEMGENES CORPORATION 2011-01-13 — — US disclosed
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