SCHEMBL4756050

SCHEMBL4756050

CCC[C@H]1CC(C#N)(CC(OC)(OC)OC)C[C@@H]1CCC

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
SCHEMBL4756054 1.00
SCHEMBL4756890 0.86
SCHEMBL4756895 0.86
SCHEMBL4754267 0.85
SCHEMBL4754265 0.85
SCHEMBL4755398 0.79
SCHEMBL4755396 0.79
SCHEMBL4756985 0.73 POLB (0.33)
SCHEMBL4753792 0.71
SCHEMBL4753789 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO claimed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed