SCHEMBL4525669

SCHEMBL4525669

CCC#CC(O)CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15353487 0.85 GRIK1 (0.31) TSHRGRIK1GRIK2
SCHEMBL4531676 0.76
SCHEMBL4529818 0.74
SCHEMBL10940666 0.74
SCHEMBL9925934 0.73
SCHEMBL709723 0.73
SCHEMBL13425084 0.73
SCHEMBL4530074 0.72
SCHEMBL18679893 0.70
SCHEMBL487731 0.70

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
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 US disclosed