SCHEMBL2154171

SCHEMBL2154171

N#CCC1(CC#N)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2155471 0.97 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15160716 0.94
SCHEMBL1963806 0.87
SCHEMBL31450428 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL24258286 0.78
SCHEMBL2888506 0.78
SCHEMBL2887327 0.78
SCHEMBL13208309 0.78
SCHEMBL11414760 0.78 NPC1 (0.32) ALDH1A1
SCHEMBL8345151 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed