SCHEMBL45022

SCHEMBL45022

CC(C)(Cl)c1cccc(C(C)(C)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
PGK1 P00558 2/20 0.44
PGK2 P07205 2/20 0.44
TSHR P16473 3/20 0.41
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPK1 P28482 2/20 0.36
KIF11 P52732 1/20 0.35
ACHE P22303 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7203013 0.92 HDAC8 (0.47) ESR1ESR2PGK1PGK2TSHR
SCHEMBL11662186 0.88 TSHR (0.50) TSHRMAPK1ALDH1A1TAAR1
SCHEMBL11469047 0.85 CYP19A1 (0.43) TSHRMAPK1KIF11ALDH1A1CYP1A2
SCHEMBL11662449 0.85 ACHE (0.50) MAPK1KIF11ACHEALDH1A1CYP1A2
SCHEMBL15352176 0.83 ALDH1A1 (0.44) ESR1ESR2PGK1PGK2TSHR
SCHEMBL45290 0.81 GABRA1 (0.38) TSHR
SCHEMBL20963008 0.79 HTR2A (0.35) ESR1ESR2PGK1PGK2MAPK1
SCHEMBL20963009 0.79 KIF11 (0.46) PGK1PGK2TSHRHDAC4HDAC2
SCHEMBL2145301 0.79 ACHE (0.48) MAPK1KIF11ACHEALDH1A1TAAR1
SCHEMBL42357 0.79 TSHR (0.58) ESR1ESR2TSHRHDAC4HDAC2

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 257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063154-B2 Preparation of exo-olefin terminated polyolefins via quenching with alkoxysilanes or ethers THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2011-11-22 US claimed
US-8013073-B2 Method for preparing polyolefins containing vinylidine end groups using nonaromatic heterocyclic compounds CHEVRON ORONITE COMPANY LLC (US) 2011-09-06 US claimed
EP-2279214-A1 PRODUCTION OF VINYLIDENE-TERMINATED POLYOLEFINS VIA QUENCHING WITH MONOSULFIDES Chevron Oronite Company LLC (US) 2011-02-02 EP claimed
US-7816459-B2 Method for preparing polyolefins containing vinylidine end groups using polymeric nitrogen compounds CHEVRON ORONITE COMPANY LLC (US) 2010-10-19 US claimed
EP-1803751-B1 Method for preparing polyolefins containing vinylidene end groups using polymeric nitrogen compounds CHEVRON ORONITE CO (US) 2010-06-30 EP claimed
EP-1803748-B1 Method for preparing polyolefins containing vinylidene end groups using nonaromatic heterocyclic compounds CHEVRON ORONITE CO (US) 2010-06-09 EP claimed
US-20090318624-A1 Preparation of exo-olefin terminated polyolefins via quenching with alkoxysilanes or ethers UNIVERSITY OF SOUTHERN MISSISSIPPI 2009-12-24 US claimed
US-20090247716-A1 Production of Vinylidene-Terminated Polyolefins Via Quenching with Monosulfides CHEVRON ORONITE COMPANY LLC 2009-10-01 US claimed
WO-2009120551-A1 PRODUCTION OF VINYLIDENE-TERMINATED POLYOLEFINS VIA QUENCHING WITH MONOSULFIDES CHEVRON ORONITE COMPANY LLC (US) 2009-10-01 WO claimed
US-7501476-B2 contacting a olefin monomer (isobutylene) with an initiator( 2-chloro-2,4,4,-trimethylpentane) in the presence of a Lewis acid and solvent under suitable quasiliving polymerization reaction conditions, contacting quasiliving carbocationically terminated polymer with an oxazole or thiazoles quencher CHEVRON ORONITE COMPANY, LLC (US) 2009-03-10 US claimed
EP-1803741-B1 Method for preparing polyolefins containing vinylidene groups using azole compounds CHEVRON ORONITE CO (US) 2009-01-21 EP claimed
US-20070155911-A1 Method for preparing polyolefins containing vinylidine end groups using nonaromatic heterocyclic compounds UNIVERSITY OF SOUTHERN MISSISSIPPI 2007-07-05 US claimed
US-20070155910-A1 Method for preparing polyolefins containing vinylidine end groups using polymeric nitrogen compounds CHEVRON ORONITE COMPANY LLC 2007-07-05 US claimed
US-20070155908-A1 contacting a olefin monomer (isobutylene) with an initiator( 2-chloro-2,4,4,-trimethylpentane) in the presence of a Lewis acid and solvent under suitable quasiliving polymerization reaction conditions, contacting quasiliving carbocationically terminated polymer with an oxazole or thiazoles quencher CHEVRON ORONITE COMPANY LLC 2007-07-05 US claimed
EP-1803748-A1 Method for preparing polyolefins containing vinylidene end groups using nonaromatic heterocyclic compounds Chevron Oronite Company LLC (US) 2007-07-04 EP claimed
EP-1803751-A1 Method for preparing polyolefins containing vinylidene end groups using polymeric nitrogen compounds Chevron Oronite Company LLC (US) 2007-07-04 EP claimed
EP-1803741-A1 Method for preparing polyolefins containing vinylidene groups using azole compounds Chevron Oronite Company LLC (US) 2007-07-04 EP claimed
EP-0083685-B1 MANUFACTURE OF DIISOCYANATES AMERICAN CYANAMID COMPANY (US) 1985-03-06 EP claimed
JP-9143106-A None JP disclosed
EP-0164521-A1 Process for the preparation of polymeric tertiary aralkyl isocyanates from 1,3- or 1,4-bis(1-chloro-1-methylethyl)benzene AMERICAN CYANAMID COMPANY (US) 1985-12-18 EP disclosed