SCHEMBL1604232

SCHEMBL1604232

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
TYR P14679 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 0.33
HSD11B1 P28845 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8420072 1.00 ALDH1A1 (0.39) ALDH1A1HDAC1TSHRLMNATYR
SCHEMBL26103144 0.94 ALDH1A1 (0.36) ALDH1A1HDAC1TSHRLMNATYR
SCHEMBL6136234 0.91 HDAC1 (0.39) ALDH1A1HDAC1TSHRLMNATYR
SCHEMBL70734 0.82 TSHR (0.52) ALDH1A1HDAC1TSHRLMNATYR
SCHEMBL12762156 0.82 TSHR (0.52) ALDH1A1HDAC1TSHRLMNATYR
Iodide SCHEMBL2968443 0.80 TSHR (0.50) ALDH1A1HDAC1TSHRLMNATYR
Bromide SCHEMBL10810288 0.80 TSHR (0.50) ALDH1A1HDAC1TSHRLMNATYR
Water SCHEMBL515827 0.80 TSHR (0.50) ALDH1A1HDAC1TSHRLMNATYR
Hydrochloric Acid SCHEMBL217655 0.80 TSHR (0.50) ALDH1A1HDAC1TSHRLMNATYR
SCHEMBL6136233 0.80 ALDH1A1 (0.39) ALDH1A1HDAC1TSHRLMNATYR

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-3727797-B1 A HYBRID PHOTOPOLYMER COMPOSITION FOR ADDITIVE MANUFACTURING PERSTORP AB (SE) 2023-09-27 EP disclosed
US-11130874-B2 Hybrid photopolymer composition for additive manufacturing PERSTORP AB (SE) 2021-09-28 US disclosed
US-20200308426-A1 A HYBRID PHOTOPOLYMER COMPOSITION FOR ADDITIVE MANUFACTURING PERSTORP AB (SE) 2020-10-01 US disclosed
US-9617361-B2 Conductive member for electrophotographic image forming apparatus SUMITOMO RIKO COMPANY LIMITED (JP) 2017-04-11 US disclosed
US-20150306845-A1 LAMINATION MADE OF RIGID SUBSTRATES WITH THIN ADHESIVE STRIPS TESA SE (DE) 2015-10-29 US disclosed
US-8569398-B2 Jettable compositions 3D SYSTEMS, INC. (US) 2013-10-29 US disclosed
US-20110082238-A1 JETTABLE COMPOSITIONS HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2011-04-07 US disclosed
US-7655174-B2 Combination of high viscosity and slower acting low viscosity resins, curable toughener, initiator and stabilizer; rapid homogeneous droplet merging and curing; tensile strength, ductility; computer controlled piezoelectric printing of three dimensional multilayer articles HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2010-02-02 US disclosed
EP-1507832-B1 JETTABLE COMPOSITIONS HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-11-21 EP disclosed
US-20050171237-A1 Combination of high viscosity and slower acting low viscosity resins, curable toughener, initiator and stabilizer; rapid homogeneous droplet merging and curing; tensile strength, ductility; computer controlled piezoelectric printing of three dimensional multilayer articles 3D SYSTEMS, INC. 2005-08-04 US disclosed
EP-1507832-A1 JETTABLE COMPOSITIONS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2005-02-23 EP disclosed
EP-1371695-A1 Jetable compositions Vantico AG (CH) 2003-12-17 EP disclosed
WO-2003099947-A1 JETTABLE COMPOSITIONS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2003-12-04 WO disclosed
US-6365644-B1 TO PROVIDE CURED PRODUCT HAVING MECHANICAL STRENGTH AND MINIMIZED SHRINKAGE DURING CURING TO ENSURE HIGH DIMENSIONAL ACCURACY DSM N.V. (NL) 2002-04-02 US disclosed