SCHEMBL5490584

SCHEMBL5490584

CCN(CC)P(OC(C)(C)CC#N)OC(C)(C)CC#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
SCHEMBL10158781 0.72
SCHEMBL9240341 0.70
SCHEMBL17060212 0.69
SCHEMBL6750294 0.68
SCHEMBL6750302 0.68
SCHEMBL15557295 0.68
SCHEMBL6752203 0.67
SCHEMBL6752205 0.67
SCHEMBL13531697 0.63
SCHEMBL10644390 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496943-A4 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS INC (US) 2007-05-23 EP disclosed
US-20060003952-A1 Oligomeric compounds having modified phosphate groups ISIS PHARMACEUTICALS, INC. (US) 2006-01-05 US disclosed
EP-1496943-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2005-01-19 EP disclosed
WO-2003087115-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
US-20030190626-A1 Phosphorothioate monoester modified oligomers ISIS PHARMACEUTICALS, INC. 2003-10-09 US disclosed