SCHEMBL1782986

SCHEMBL1782986

CC(=O)CC(CC(C)=O)C(C)(O)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 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
SCHEMBL9066481 0.79 ALDH1A1 (0.39) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL3908678 0.75 PIK3CD (0.40) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL19390249 0.71 ALDH1A1 (0.35) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL28916431 0.71 ALDH1A1 (0.40) ALDH1A1TDP1
Methyl Isobutyl Ketone SCHEMBL11761828 0.70 ALDH1A1 (0.64) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL12040127 0.68 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL4732428 0.68 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL28494 0.68
SCHEMBL1536952 0.68 HMGCR (0.43) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL7041938 0.68 HMGCR (0.58) ALDH1A1TDP1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118374-A1 Method for Preparing a Hard Film or Coating from a Cationically Cross-Linkable/Polymerizable Composition Comprising an Iodonium Borate and Giving Off an Acceptable Odour BLUESTAR SILICONES FRANCE SAS (FR) 2011-05-19 US disclosed
EP-2225285-A1 METHOD FOR PREPARING A HARD FILM OR COATING FROM A CATIONICALLY CROSSLINKABLE/POLYMERIZABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND GIVING OFF AN ACCEPTABLE ODOUR Bluestar Silicones France SAS (FR) 2010-09-08 EP disclosed
WO-2009083564-A1 METHOD FOR PREPARING A HARD FILM OR COATING FROM A CATIONICALLY CROSSLINKABLE/POLYMERIZABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND GIVING OFF AN ACCEPTABLE ODOUR BLUESTAR SILICONES FRANCE SAS (FR) 2009-07-09 WO disclosed