SCHEMBL830416

SCHEMBL830416

CC(Cl)c1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP3A4 P08684 4/20 0.34
SLC6A2 P23975 3/20 0.34
CYP2D6 P10635 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 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
SCHEMBL2865478 0.81 GABRA1 (0.43) GABRA1GABRB2CYP3A4SLC6A2CYP2D6
SCHEMBL29688500 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4SLC6A2TSHR
SCHEMBL935174 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4SLC6A2TSHR
SCHEMBL28548155 0.79 TSHR (0.39) CYP3A4SLC6A2CYP2D6SLC6A4SLC6A3
SCHEMBL29161117 0.77 TSHR (0.32) CYP3A4SLC6A2CYP2D6SLC6A4SLC6A3
SCHEMBL23205864 0.76 TSHR (0.59) GABRA1GABRB2TSHR
SCHEMBL6682974 0.76 TSHR (0.59) GABRA1GABRB2TSHR
SCHEMBL2762296 0.75 GABRA1 (0.36) GABRA1GABRB2CYP3A4SLC6A2CYP2D6
SCHEMBL1741996 0.75 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A2CYP2D6
SCHEMBL5581682 0.75 CYP2D6 (0.45) GABRA1GABRB2CYP3A4SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802785-B2 Process for preparing AB diblock copolymers with a bimodally distributed A block EVONIK RÖHM GMBH (DE) 2014-08-12 US disclosed
US-20140206823-A1 METHOD FOR REDUCING THE HALOGEN CONTENT OF A POLYMER EVONIK OIL ADDITIVES GMBH (DE) 2014-07-24 US disclosed
EP-2748209-A1 METHOD FOR REDUCING THE HALOGEN CONTENT OF A POLYMER Evonik Oil Additives GmbH (DE) 2014-07-02 EP disclosed
CN-103732633-A Process for reducing the halogen content of polymers EVONIK ROHMAX ADDITIVES GMBH 2014-04-16 CN disclosed
WO-2013029837-A1 METHOD FOR REDUCING THE HALOGEN CONTENT OF A POLYMER EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-03-07 WO disclosed
US-8143354-B2 Process for preparing acid-terminated ATRP products EVONIK RÖHM GMBH (DE) 2012-03-27 US disclosed
US-20110224359-A1 PROCESS FOR PREPARING AB DIBLOCK COPOLYMERS WITH A BIMODALLY DISTRIBUTED A BLOCK Evonik Riehm GmbH (DE) 2011-09-15 US disclosed
US-7999066-B2 Copper removal from ATRP products by means of addition of sulfur compounds EVONIK ROEHM GMBH (DE) 2011-08-16 US disclosed
US-7943708-B2 Method for the production of telechelic polymers EVONIK RÖHM GMBH (DE) 2011-05-17 US disclosed
US-20100041852-A1 METHOD FOR PRODUCING SILYL TELECHELIC POLYMERS EVONIK ROEHM GMBH (DE) 2010-02-18 US disclosed
US-20090312498-A1 PROCESS FOR PREPARING HYDROXY-TELECHELIC ATRP PRODUCTS EVONIK ROEHM GMBH (DE) 2009-12-17 US disclosed
US-20090275707-A1 PROCESS FOR PREPARING HALOGEN-FREE ATRP PRODUCTS EVONIK ROEHM GMBH (DE) 2009-11-05 US disclosed
US-20090062508-A1 COPPER REMOVAL FROM ATRP PRODUCTS BY MEANS OF ADDITION OF SULFUR COMPOUNDS EVONIK ROEHM GMBH (DE) 2009-03-05 US disclosed
US-20060258826-A1 Atom or group transfer radical polymerization CARNEGIE MELLON UNIVERSITY 2006-11-16 US disclosed
US-20030216528-A1 Novel (co)polymers and a novel polymerization process based on atom (or group) transfer radical polymerization CARNEGIE MELLON UNIVERSITY 2003-11-20 US disclosed