SCHEMBL12475561

SCHEMBL12475561

[CH2]CC[C](CCC)CCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
FFAR3 O14843 3/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL12475732 0.89 CES1 (0.38) CES2CES1TSHRALDH1A1
SCHEMBL12475380 0.88
SCHEMBL506084 0.82 CES2 (0.47) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL12475217 0.81 CES1 (0.41) CES2CES1TSHRALDH1A1
SCHEMBL5679318 0.79 CES2 (0.32) CES2CES1
Water SCHEMBL23094078 0.78 CES1 (0.44) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL1409370 0.76
SCHEMBL8168032 0.75
SCHEMBL12475492 0.71 CES1 (0.38) CES2CES1TSHRALDH1A1
SCHEMBL8219102 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
EP-2882792-A1 POLYCARBONATES Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882818-A1 STABILIZER AND COATING COMPOSITIONS THEREOF Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2883113-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882658-A1 CONTAINER COATING SYSTEM Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
WO-2014025407-A1 POLYCARBONATES VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025400-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025410-A1 STABILIZER AND COATING COMPOSITIONS THEREOF VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025411-A1 CONTAINER COATING SYSTEM VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025406-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
EP-2673323-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
WO-2012109278-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-08-16 WO disclosed