SCHEMBL4467596

SCHEMBL4467596

CC1=CCC([Zr]C2=C(C)C(C)=CC2)=C1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 4/20 0.35
ATM Q13315 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
IDO1 P14902 1/20 0.33
AOC3 Q16853 1/20 0.33

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
(Chloromethyl)Benzene SCHEMBL4470512 0.86 LMNA (0.33) SMN1; SMN2
SCHEMBL6066261 0.80 SIGMAR1 (0.33) MAOAMAOBKCNH2ALDH1A1HPGD
SCHEMBL4473813 0.79
Chlorobenzene SCHEMBL4478964 0.79 TSHR (0.42)
Hydrochloric Acid SCHEMBL381704 0.77
Hydrochloric Acid SCHEMBL4461340 0.75
Hydrochloric Acid SCHEMBL7869798 0.73 KDM4E (0.39) TAAR1ATMMAPK1
SCHEMBL4868254 0.73 MAOB (0.35) MAOAMAOBKCNH2ALDH1A1HPGD
Water SCHEMBL2780320 0.69 ALDH1A1 (0.65) MAOAMAOBKCNH2ALDH1A1HPGD
Ethane SCHEMBL21049496 0.67 ALDH1A1 (0.61) MAOAMAOBKCNH2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114831-B1 Ethylene/alpha-olefin copolymer MITSUI CHEMICALS INC (JP) 2009-12-23 EP disclosed
EP-0575123-B2 Ethylene copolymer composition MITSUI CHEMICALS INC (JP) 2008-02-13 EP disclosed
EP-0605952-B2 Multi-stage olefin polymerization process MITSUI CHEMICALS INC (JP) 2005-10-05 EP disclosed
US-6894120-B2 Ethylene copolymer composition MITSUI CHEMICALS, INC. (JP) 2005-05-17 US disclosed
US-20040210004-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2004-10-21 US disclosed
US-6774190-B1 LOW DENSITY POLYETHYLENE OBTAINED BY HIGH-PRESSURE FREE RADICAL POLYMERIZATION; HEAT RESISTANCE, STABILITY, MOLDABILITY, AND TRANSPARENCY; ANTI-BLOCKING RESISTANCE MITSUI CHEMICALS, INC. (JP) 2004-08-10 US disclosed
US-20030092845-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2003-05-15 US disclosed
US-20020198341-A1 Ethylene resin sealants for laminated films TAKAHASHI MAMORU (JP) 2002-12-26 US disclosed
US-20020165322-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2002-11-07 US disclosed
US-20020143126-A1 Ethylene resin injection molded articles TAKAHASHI MAMORU (JP) 2002-10-03 US disclosed
US-5594071-A HEAT RESISTANCE, MOLDABILITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0749989-A2 Graft modified ethylene/alpha-olefin copolymer, and ethylene copolymer compositions MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-12-27 EP disclosed
US-5464905-A Catalytic polymerization with organoaluminum and metallocene compounds MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-11-07 US disclosed
US-5459217-A Narrow molecular weight distribution, melt tension, heat stability, flowability, inflation film, metal cyclopentadienyl complex catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-10-17 US disclosed
US-5371146-A A blends of ethylene-(alpha)olefins copolymers has high transparency, high strength, blocking resistance, good melt flowability and tension MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0605952-A2 Ethylene/alpha-olefin copolymer composition, graft modified ethylene/alpha-olefin copolymer composition, and multi-stage olefin polymerization process MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-07-13 EP disclosed
EP-0598626-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-05-25 EP disclosed
EP-0598628-A2 Catalyst for olefin polymerization, process for olefin polymerization using the same, ethylene/alpha-olefin copolymer, graft modified ethylene/alpha-olefin copolymer, and ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-05-25 EP disclosed
EP-0587365-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-03-16 EP disclosed
EP-0575123-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 EP disclosed