SCHEMBL3689606

SCHEMBL3689606

Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
AKR1C3 P42330 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36
RARB P10826 1/20 0.36
ADRB3 P13945 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
NR1I3 Q14994 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CXCL8 P10145 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
Phosphoric Acid SCHEMBL29961189 0.94 ALDH1A1 (0.38) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL361556 0.87 PTGS1 (0.40) ALDH1A1PTGS1PTGS2LMNACYP2C9
Hydrochloric Acid SCHEMBL31093481 0.85 PTGS1 (0.39) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL29351331 0.83 PTGS1 (0.36) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL29408470 0.83 PTGS1 (0.36) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL29408461 0.83 PTGS1 (0.36) ALDH1A1PTGS1PTGS2LMNACYP2C9
Toliodium SCHEMBL4178434 0.83 HPGD (0.39) ALDH1A1LMNATSHR
SCHEMBL3764391 0.80 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL284111 0.79 PTGS1 (0.45) ALDH1A1PTGS1PTGS2LMNACYP2C9
SCHEMBL3759101 0.77 BCHE (0.45) ALDH1A1KDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808787-A1 PHOTOCURABLE ADHESIVE COMPOSITION FOR MASCARA EXTENSION Zimmer, Margarita (DE) 2021-04-21 EP disclosed
EP-2470607-B1 COATING MATERIAL COMPRISING UNSATURATED POLYESTER RESINS AND VINYL ETHERS BASF SE (DE) 2016-12-14 EP disclosed
EP-2695924-A2 Method for producing an adhesive bond or a composite material and adhesive or composite material suitable therefore Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2014-02-12 EP disclosed
EP-2470607-A1 COATING MATERIAL COMPRISING UNSATURATED POLYESTER RESINS AND VINYL ETHERS BASF SE (DE) 2012-07-04 EP disclosed
WO-2011023583-A1 COATING MATERIAL COMPRISING UNSATURATED POLYESTER RESINS AND VINYL ETHERS BASF SE (DE) 2011-03-03 WO disclosed
US-7723397-B2 ethylenically unsaturated aminoacrylates; overprinting; for production of scratch-resistant durable surface CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
EP-1842601-B1 Method for forming functional layers CIBA HOLDING INC (CH) 2009-07-22 EP disclosed
EP-1842601-A1 Method for forming functional layers Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-10 EP disclosed
EP-1558402-B1 METHOD FOR PRODUCING UV ABSORPTION LAYERS ON SUBSTRATES CIBA SC HOLDING AG (CH) 2007-04-18 EP disclosed
EP-1601719-A1 COATING COMPOSITION COMPRISING HYDROXYLAMINE ESTERS Ciba SC Holding AG (CH) 2005-12-07 EP disclosed
US-20050239971-A1 New difunctional photoinitators IGM GROUP B.V. (NL) 2005-10-27 US disclosed
EP-1576037-A1 METHOD FOR FORMING REACTIVE COATINGS Ciba SC Holding AG (CH) 2005-09-21 EP disclosed
EP-1572379-A2 METHOD FOR FORMING FUNCTIONAL LAYERS Ciba SC Holding AG (CH) 2005-09-14 EP disclosed
EP-1523506-A1 NEW DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-04-20 EP disclosed
WO-2004081100-A1 COATING COMPOSITION COMPRISING HYDROXYLAMINE ESTERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-09-23 WO disclosed
EP-1442005-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2004056910-A1 METHOD FOR FORMING REACTIVE COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 WO disclosed
WO-2004056496-A2 METHOD FOR FORMING FUNCTIONAL LAYERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 WO disclosed
WO-2004009651-A1 NEW DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-29 WO disclosed
WO-2003040076-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-15 WO disclosed