SCHEMBL4469581

SCHEMBL4469581

CCB=[Ti](Cl)(Cl)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR6 P50406 1/20 0.34
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 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
SCHEMBL7937299 0.79 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL3381692 0.77 BRD4 (0.36) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL9226208 0.75 SIGMAR1 (0.35) HTR2AHTR6SIGMAR1KDM4EBRD4
Hydrochloric Acid SCHEMBL7105573 0.75 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7752430 0.75 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL4457209 0.74 BRD4 (0.34) HTR2AHTR6SIGMAR1KDM4EBRD4
Hydrochloric Acid SCHEMBL7108175 0.73 HTR6 (0.32) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL2538857 0.73 HTR2A (0.35) HTR2AHTR6BRD4CCL2
SCHEMBL7769223 0.73 HTR2A (0.35) HTR2AHTR6BRD4CCL2
SCHEMBL6228139 0.72 BRD4 (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945471-B1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS, AND PROCESSES FOR THE PRODUCTION OF STYRENE POLYMERS IDEMITSU KOSAN CO (JP) 2009-05-13 EP disclosed
EP-1153947-B1 OLEFIN COPOLYMER, FILM, AND SHEET IDEMITSU KOSAN CO (JP) 2007-06-13 EP disclosed
US-6838409-B1 Catalyst for olefin/styrene copolymerization, and process for producing olefin/styrene copolymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-6825294-B1 TRANSITION METAL COMPLEX COMPRISING OXYGEN-CONTAINING AND CARBONYL COMPOUNDS; AND ALKYLATING AGENT; SYNDIOTACTIC ADDITION POLMERIZATION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-6696527-B1 TERPOLYMER COMPRISED OF CYCLIC OLEFIN, AROMATIC VINYL AND ALIPHATIC ALPHA-OLEFIN MONOMERS; HALOGEN FREE SOFT RESIN; ELASTICITY; TRANSPARENCY IDEMITSU PETROCHEMICAL CO. LTD. (JP) 2004-02-24 US disclosed
US-6395846-B1 COORDINATION CATALYST COMPRISING CLAY, ORGANOSILANE COMPOUND, WATER, AND TRANSITION METAL COMPLEX; QUALITY IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1167394-A1 CATALYST FOR OLEFIN/STYRENE COPOLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN/STYRENE COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-01-02 EP disclosed
EP-1167393-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-01-02 EP disclosed
EP-1153947-A1 OLEFIN COPOLYMER, FILM, AND SHEET IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-11-14 EP disclosed
US-6316557-B1 FOR PRODUCING HIGH QUALITY, STEREOSPECIFIC POLYOLEFINS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6255244-B1 OBTAINED BY CONTACTING A TRANSITION METAL COMPOUND, AN OXYGEN-CONTAINING COMPOUND TO FORM AN IONIC COMPLEX, AND AN ADSORBING SUBSTANCE DURING OR AFTER THE CONTACTING TREATMENT, THEN FOLLOWED BY REMOVING THE ADSORBING SUBSTANCE. IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-07-03 US disclosed
EP-1085026-A1 CATALYST FOR POLYMERIZING STYRENE AND OTHER MONOMER AND PROCESS FOR PRODUCING STYRENE POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-21 EP disclosed
EP-1026176-A1 CATALYST FOR OLEFIN POLYMER PRODUCTION, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING OLEFIN POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-08-09 EP disclosed
EP-0945471-A1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS, AND PROCESSES FOR THE PRODUCTION OF STYRENE POLYMERS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-09-29 EP disclosed