SCHEMBL1031007

SCHEMBL1031007

CN(C)C(=O)CC(C)(O)CCO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
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
SCHEMBL1615550 1.00 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL28193961 0.80 FFAR1 (0.37) ALDH1A1
Mevalonic Acid SCHEMBL8854071 0.75 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Mevalonic Acid SCHEMBL120276 0.75 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL11597915 0.75 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Mevalonic Acid SCHEMBL120275 0.75 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Mevalonic Acid SCHEMBL18376074 0.75 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL14159859 0.74 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Mevalonic Acid SCHEMBL30657480 0.73 HMGCR (0.64) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Mevalonic Acid SCHEMBL29654223 0.73 HMGCR (0.64) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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
EP-2796445-A1 Continuous method for producing amides of aliphatic hydroxy carbocylic acids Clariant Finance (BVI) Limited (VG) 2014-10-29 EP disclosed
US-20110083957-A1 Continuous Method For Producing Amides Of Aliphatic Hydroxycarboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-14 US disclosed
EP-2274275-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ALIPHATIC HYDROXY CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
WO-2009121489-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ALIPHATIC HYDROXY CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed