SCHEMBL4059549

SCHEMBL4059549

CC1=Cc2cc(-c3ccccc3)ccc2C1[Ti](Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
MAOA P21397 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC5A2 P31639 2/20 0.30

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
SCHEMBL3760664 0.78
SCHEMBL29049893 0.77 MAOA (0.35) MAOAKDM1AKDM1BALOX5GAA
SCHEMBL27479178 0.76 MAOA (0.34) MAOAKDM1AKDM1BALOX5CYP1A2
SCHEMBL4094394 0.75 MGLL (0.33) ESR2MAOAKDM1AKDM1BALOX5
SCHEMBL4092757 0.75 KDM1A (0.34) ESR2MAOAKDM1AKDM1BALOX5
Hydrochloric Acid SCHEMBL4092756 0.74 MAOA (0.33) MAOAKDM1AKDM1BALOX5GAA
Hydrochloric Acid SCHEMBL4094393 0.74 MAOA (0.33) MAOAKDM1AKDM1BALOX5GAA
Hydrochloric Acid SCHEMBL4059545 0.74 MAOA (0.33) MAOAKDM1AKDM1BALOX5GAA
Hydrochloric Acid SCHEMBL18112870 0.73 ESR1 (0.33) ESR2MAOAKDM1AKDM1BALOX5
Hydrochloric Acid SCHEMBL27505811 0.73 MAOA (0.32) MAOAKDM1AKDM1BALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013047891-A2 WASHING METHOD, ADDITION POLYMERIZATION METHOD, PREPOLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-04 WO disclosed
WO-2012063972-A1 METHOD FOR COATING REACTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-18 WO disclosed
WO-2009116656-A1 PREPOLYMERIZATION CATALYST COMPONENT AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed
WO-2009104782-A1 ETHYLENE HOMOPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104783-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2008105546-A1 PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 WO disclosed