SCHEMBL3102250

SCHEMBL3102250

CN(CCO)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.40
OPRM1 P35372 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.35
MLYCD O95822 6/20 0.33
TXNRD1 Q16881 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CHEK2 O96017 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13999298 0.96 OPRD1 (0.41) OPRD1OPRM1L3MBTL1HPGDMLYCD
SCHEMBL3671967 0.94 OPRD1 (0.48) OPRD1OPRM1L3MBTL1MLYCDTSHR
SCHEMBL4427196 0.91 OPRD1 (0.48) OPRD1OPRM1L3MBTL1HPGDTXNRD1
SCHEMBL4415201 0.86 OPRD1 (0.36) OPRD1OPRM1L3MBTL1HPGDTXNRD1
SCHEMBL4425716 0.86 OPRD1 (0.38) OPRD1OPRM1L3MBTL1HPGDMLYCD
SCHEMBL4420950 0.85 OPRD1 (0.36) OPRD1OPRM1HPGDTXNRD1TSHR
SCHEMBL4427199 0.84 OPRM1 (0.38) OPRD1OPRM1ALDH1A1CHEK2LMNA
SCHEMBL4427266 0.83 LSS (0.35) OPRD1OPRM1HPGDTXNRD1
SCHEMBL4415856 0.82 OPRD1 (0.47) OPRD1OPRM1L3MBTL1HPGDMLYCD
SCHEMBL4420951 0.82 PHLPP2 (0.46) TXNRD1TSHRALDH1A1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137756-A1 Water Based Concentrated Product Forms of Photoinitiators Made by a Heterophase Polymerization Technique BASF SE (DE) 2016-05-19 US disclosed
US-20160137756-A1 Water Based Concentrated Product Forms of Photoinitiators Made by a Heterophase Polymerization Technique BASF SE (DE) 2016-05-19 US disclosed
US-20160137756-A1 Water Based Concentrated Product Forms of Photoinitiators Made by a Heterophase Polymerization Technique BASF SE (DE) 2016-05-19 US disclosed
EP-2035496-B1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE BASF SE (DE) 2014-07-30 EP disclosed
EP-2035496-B1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE BASF SE (DE) 2014-07-30 EP disclosed
US-20100234484-A1 Water based concentrated product forms of photoinitiators made by a heterophase polymerization technique IGM GROUP B.V. (NL) 2010-09-16 US disclosed
US-20100234484-A1 Water based concentrated product forms of photoinitiators made by a heterophase polymerization technique IGM GROUP B.V. (NL) 2010-09-16 US disclosed
US-20100234484-A1 Water based concentrated product forms of photoinitiators made by a heterophase polymerization technique IGM GROUP B.V. (NL) 2010-09-16 US disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
EP-2035496-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
WO-2008003601-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
WO-2008003601-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed