SCHEMBL3076987

SCHEMBL3076987

COC(=O)[N+](CCCCCCNC(=O)OC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 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
SCHEMBL3087209 1.00 MGLL (0.33) MGLLNPC1RAB9AMLYCD
SCHEMBL3096281 1.00 MGLL (0.33) MGLLNPC1RAB9AMLYCD
SCHEMBL4424008 0.92 DRD2 (0.31)
SCHEMBL4413066 0.92 DRD2 (0.31)
SCHEMBL4417750 0.92
SCHEMBL3087208 0.86 MLYCD (0.40) MGLLNPC1RAB9AMLYCD
SCHEMBL3096274 0.86 MLYCD (0.40) MGLLNPC1RAB9AMLYCD
SCHEMBL3076985 0.86 MLYCD (0.40) MGLLNPC1RAB9AMLYCD
SCHEMBL4413096 0.86
SCHEMBL4423964 0.85

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
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
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-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
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