SCHEMBL1069561

SCHEMBL1069561

[C-]#[N+]CC1CC(C)(C)CC(C)(N=C=O)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 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
SCHEMBL364192 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL4983187 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL8589634 0.76
SCHEMBL9393487 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL2777671 0.73 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL22102895 0.73 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL1081191 0.71 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL264479 0.68 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL18941445 0.68
SCHEMBL8616101 0.67 ALDH1A1 (0.32) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268689-A1 ADDUCTS AND CURABLE COMPOSITIONS USING SAME Loctite (R & D) Limited (IE) 2011-01-05 EP disclosed
WO-2009115586-A1 ADDUCTS AND CURABLE COMPOSITIONS USING SAME LOCTITE (R & D) LIMITED (IE) 2009-09-24 WO disclosed
EP-2091731-A1 PREPREG LAMINATES Henkel Corporation (US) 2009-08-26 EP disclosed
EP-2066713-A2 NOVEL ADDUCTS AND CURABLE COMPOSITIONS USING SAME Henkel Loctite (Ireland) Limited (IE) 2009-06-10 EP disclosed
EP-1954759-A1 CURABLE COMPOSITIONS Henkel Corporation (US) 2008-08-13 EP disclosed
WO-2008076244-A1 PREPREG LAMINATES HENKEL CORPORATION (US) 2008-06-26 WO disclosed
WO-2008038257-A2 NOVEL ADDUCTS AND CURABLE COMPOSITIONS USING SAME LOCTITE (R & D) LIMITED (IE) 2008-04-03 WO disclosed
WO-2007064801-A1 CURABLE COMPOSITIONS HENKEL CORPORATION (US) 2007-06-07 WO disclosed