SCHEMBL3759208

SCHEMBL3759208

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GPR3 P46089 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR1 P25024 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
SCHEMBL3762384 0.91 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL3764391 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2POLBBCHE
SCHEMBL361556 0.80 PTGS1 (0.40) ALDH1A1ALOX5PTGS1TRPV1LMNA
SCHEMBL3759101 0.79 BCHE (0.45) ALDH1A1KDM4ESMN1; SMN2POLBBCHE
SCHEMBL4623956 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2POLBBCHE
SCHEMBL3762393 0.78 TSHR (0.44) ALDH1A1SMN1; SMN2BCHEACHELMNA
Hydrochloric Acid SCHEMBL31093481 0.78 PTGS1 (0.39) ALDH1A1KDM4ESMN1; SMN2POLBALOX5
Toliodium SCHEMBL2898696 0.78 GPR3 (0.44) ALDH1A1SMN1; SMN2BCHEACHEKCNH2
SCHEMBL3689606 0.77 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2POLBALOX5
SCHEMBL7892650 0.77 GAA (0.41) ALDH1A1KDM4ESMN1; SMN2POLBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225395-A1 Thermally stable cationic photocurable compositions WOLF JEAN-PIERRE 2007-09-27 US claimed
US-20050165141-A1 Thermally stable cationic photocurable compositions CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US claimed
EP-2076563-B1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS BASF SE (DE) 2016-08-17 EP disclosed
US-8084522-B2 Thermally stable cationic photocurable compositions BASF SE (DE) 2011-12-27 US disclosed
US-20100304284-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS IGM GROUP B.V. (NL) 2010-12-02 US disclosed
EP-2076563-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-07-08 EP disclosed
WO-2008049743-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS CIBA HOLDING INC. (CH) 2008-05-02 WO disclosed
US-20070225395-A1 Thermally stable cationic photocurable compositions WOLF JEAN-PIERRE 2007-09-27 US disclosed
EP-1709099-A2 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2006-10-11 EP disclosed
WO-2005070989-A2 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-08-04 WO disclosed
US-20050165141-A1 Thermally stable cationic photocurable compositions CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US disclosed
US-20010036591-A1 Iodonium salts as latent acid donors IGM GROUP B.V. (NL) 2001-11-01 US disclosed
US-6306555-B1 RADIATION-SENSITIVE COMPOSITION COMPRISING CATIONICALLY OR ACID-CATALYTICALLY POLYMERISABLE OR CROSSLINKABLE COMPOUND OR COMPOUND THAT INCREASES ITS SOLUBILITY IN DEVELOPER UNDER ACTION OF ACID, AND AT LEAST ONE DIARYLIODONIUM SALT CIBA SPECIALTY CHEMICALS CORP. 2001-10-23 US disclosed