SCHEMBL5858093

SCHEMBL5858093

C=CCP(=O)(OC(C)C#N)OC(C)C#N

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
SCHEMBL777733 0.81
SCHEMBL29036709 0.79
SCHEMBL5399850 0.77 CTSA (0.39)
SCHEMBL776770 0.72
SCHEMBL778200 0.69
SCHEMBL22651 0.69 TSHR (0.35)
SCHEMBL25644075 0.69 ACHE (0.36)
SCHEMBL4136471 0.69
SCHEMBL28768881 0.67 TSHR (0.32)
SCHEMBL4028324 0.66 TSHR (0.32)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049432-B2 Oligonucleotides having alkylphosphonate linkages and methods for their preparation ISIS PHARMACEUTICALS, INC. (US) 2006-05-23 US disclosed
US-20030078414-A1 Oligonucleotides having alkylphosphonate linkages and methods for their preparation ISIS PHARMACEUTICALS, INC. 2003-04-24 US disclosed
US-6486313-B1 Oligonucleotides having alkylphosphonate linkages and methods for their preparation ISIS PHARMACEUTICALS, INC. 2002-11-26 US disclosed
EP-1169329-A4 OLIGONUCLEOTIDES HAVING ALKYLPHOSPHONATE LINKAGES AND METHODS FOR THEIR PREPARATION ISIS PHARMACEUTICALS INC (US) 2002-07-03 EP disclosed
EP-1169329-A1 OLIGONUCLEOTIDES HAVING ALKYLPHOSPHONATE LINKAGES AND METHODS FOR THEIR PREPARATION ISIS PHARMACEUTICALS, INC. (US) 2002-01-09 EP disclosed
WO-2000049032-A1 OLIGONUCLEOTIDES HAVING ALKYLPHOSPHONATE LINKAGES AND METHODS FOR THEIR PREPARATION ISIS PHARMACEUTICALS, INC. (US) 2000-08-24 WO disclosed