SCHEMBL1935486

SCHEMBL1935486

C=CCC(CO)(CO)CCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 9/20 0.32
GGPS1 O95749 6/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 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
SCHEMBL4791142 0.87 TSHR (0.44) TSHRALDH1A1FDPSGGPS1FAAH
SCHEMBL23132563 0.87 TSHR (0.44) TSHRALDH1A1FDPSGGPS1FAAH
SCHEMBL17479363 0.85 TSHR (0.48) TSHRALDH1A1FDPSGGPS1FAAH
SCHEMBL31417819 0.85 TSHR (0.32) TSHRALDH1A1SMN1; SMN2
SCHEMBL7127962 0.84 TSHR (0.33) TSHRALDH1A1
SCHEMBL16162170 0.83 TSHR (0.41) TSHRALDH1A1FDPSGGPS1
SCHEMBL28222806 0.81 TSHR (0.44) TSHRALDH1A1FDPSGGPS1FAAH
SCHEMBL21081079 0.80 TSHR (0.30) TSHRALDH1A1SMN1; SMN2
SCHEMBL23131883 0.80 TSHR (0.43) TSHRALDH1A1LMNA
SCHEMBL3318758 0.79 SMN1; SMN2 (0.45) TSHRALDH1A1SMN1; SMN2FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331601-B1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOL OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOL FOR THE PREPARATION OF POLYMERS. BASF SE (DE) 2014-02-12 EP claimed
US-20110178239-A1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOLS OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOLS FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-07-21 US claimed
CN-102143988-B Use of substituted 2-aryl-2-alkyl-1, 3-propanediol or substituted 2-cyclohexyl-2-alkyl-1, 3-propanediol in the manufacture of polymers BASF SE 2013-01-16 CN disclosed
CN-102143988-B Use of substituted 2-aryl-2-alkyl-1, 3-propanediol or substituted 2-cyclohexyl-2-alkyl-1, 3-propanediol in the manufacture of polymers BASF SE 2013-01-16 CN disclosed
CN-102143988-A Use of substituted 2-aryl-2-alkyl-1, 3-propanediol or substituted 2-cyclohexyl-2-alkyl-1, 3-propanediol in the manufacture of polymers BASF SE 2011-08-03 CN disclosed
CN-102143988-A Use of substituted 2-aryl-2-alkyl-1, 3-propanediol or substituted 2-cyclohexyl-2-alkyl-1, 3-propanediol in the manufacture of polymers BASF SE 2011-08-03 CN disclosed
US-20110178239-A1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOLS OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOLS FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-07-21 US disclosed
US-20110178239-A1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOLS OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOLS FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-07-21 US disclosed
EP-2331601-A1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOLS OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOLS FOR MANUFACTURING POLYMERS BASF SE (DE) 2011-06-15 EP disclosed
WO-2010026066-A1 USE OF SUBSTITUTED 2-ARYL-2-ALKYL-1,3-PROPANEDIOLS OR SUBSTITUTED 2-CYCLOHEXYL-2-ALKYL-1,3-PROPANEDIOLS FOR MANUFACTURING POLYMERS BASF SE (DE) 2010-03-11 WO disclosed