SCHEMBL969964

SCHEMBL969964

CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
PTGS2 P35354 1/20 0.32
TYR P14679 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
EGFR P00533 1/20 0.31
NPC1 O15118 1/20 0.31
CRHBP P24387 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
SCHEMBL424555 0.86 RAB9A (0.39) CNR2TYRTNKSTNKS2PARP3
SCHEMBL4190526 0.81 TYR (0.44) TYRL3MBTL1CYP2D6CYP2C9HIF1A
SCHEMBL30445446 0.80 MAPT (0.35) PTGS2TNKSTNKS2PARP3L3MBTL1
SCHEMBL62199 0.79 ALDH1A1 (0.35) ALDH1A1
Bromide SCHEMBL10807840 0.79 TYR (0.42) TYRL3MBTL1CYP2D6CYP2C9HIF1A
Hydrochloric Acid SCHEMBL967243 0.79 TYR (0.42) TYRL3MBTL1CYP2D6CYP2C9HIF1A
SCHEMBL10726396 0.77 TYR (0.38) TYRL3MBTL1CYP2D6CYP2C9HIF1A
SCHEMBL2713232 0.77 PTGS1 (0.39) TAAR1PTGS2CYP2D6CYP2C9
SCHEMBL29205718 0.76 TYR (0.44) TYRCYP2D6CYP2C9HIF1ARAB9A
Potassium Ion SCHEMBL29205715 0.74 TYR (0.42) TYRCYP2D6CYP2C9HIF1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101830-A1 NOVEL DIARYLIODONIUM SALT MIXTURES AS LOW MOLECULAR WEIGHT PHOTOINITIATORS WITH MINIMIZED CRYSTALLIZATION BEHAVIOR AND ELEVATED SOLUBILITY FEW Chemicals GmbH (DE) 2022-12-14 EP disclosed
US-20110003123-A1 SENSITIZER/INITIATOR COMBINATION FOR NEGATIVE-WORKING THERMAL-SENSITIVE COMPOSITIONS USABLE FOR LITHOGRAPHIC PLATES KODAK GRAPHIC COMMUNICATIONS, GMBH (DE) 2011-01-06 US disclosed
WO-2009109579-A1 SENSITIZER/INITIATOR COMBINATION FOR NEGATIVE-WORKING THERMAL-SENSITIVE COMPOSITIONS USABLE FOR LITHOGRAPHIC PLATES EASTMAN KODAK COMPANY (US) 2009-09-11 WO disclosed
EP-2098367-A1 Sensitizer/Initiator Combination for Negative-Working Thermal-Sensitive Compositions Usable for Lithographic Plates EASTMAN KODAK COMPANY (US) 2009-09-09 EP disclosed