SCHEMBL2227766

SCHEMBL2227766

CC(C)N(C/C=C/C#N)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL11353704 0.76 MEN1 (0.38)
SCHEMBL11353701 0.76 MEN1 (0.38)
SCHEMBL2227881 0.73 CYP1A2 (0.46)
SCHEMBL16671186 0.72
SCHEMBL2561668 0.72
SCHEMBL6839733 0.69 MEN1 (0.33)
SCHEMBL2248126 0.67
SCHEMBL2248136 0.67
SCHEMBL2250057 0.67
SCHEMBL12894098 0.67 MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed