SCHEMBL61673

SCHEMBL61673

C1=CCC([Zr]C2=CC=CC2)=C1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
ATM Q13315 1/20 0.36
AOC3 Q16853 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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 SCHEMBL28482875 0.85 KDM4E (0.31) MAOB
Benzene SCHEMBL28489637 0.83
Biphenyl SCHEMBL819335 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10TAAR1TDP1SMN1; SMN2
SCHEMBL27437867 0.81 ALDH1A1 (0.34) ALDH1A1HPGDALOX15ALOX12CASP1
Toluene SCHEMBL28481276 0.80 LMNA (0.46) ALDH1A1HPGDALOX12
Bromobenzene SCHEMBL7600505 0.80 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL8384336 0.80 TP53 (0.31)
Toluene SCHEMBL7669666 0.78 LMNA (0.44) ALDH1A1HPGDALOX12
Chlorobenzene SCHEMBL819465 0.78 TSHR (0.44)
SCHEMBL61348 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501372-B2 Organometallic compound and composite oxide CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-03-10 US claimed
EP-1704171-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST ExxonMobil Chemical Patents Inc. (US) 2006-09-27 EP claimed
EP-1692194-A1 CATALYST COMPOSITIONS FOR PRODUCING POLYOLEFINS IN THE ABSENCE OF COCATALYSTS Chevron Phillips Chemical Company LP (US) 2006-08-23 EP claimed
US-6982236-B2 Process to polymerize olefins UNIVATION TECHNOLOGIES, LLC (US) 2006-01-03 US claimed
WO-2005075526-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-08-18 WO claimed
US-20050159299-A1 Hydrophobization and silica for supported catalyst EXXONMOBIL CHEMICAL PATENTS INC. 2005-07-21 US claimed
WO-2005052011-A1 CATALYST COMPOSITIONS FOR PRODUCING POLYOLEFINS IN THE ABSENCE OF COCATALYSTS CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-06-09 WO claimed
US-20050113243-A1 Catalyst compositions for producing polyolefins in the absence of cocatalysts CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2005-05-26 US claimed
US-6897273-B2 Catalyst composition, method of polymerization and polymer therefrom UNIVATION TECHNOLOGIES, LLC (US) 2005-05-24 US claimed
EP-1084155-B1 CATALYST SYSTEM FOR ETHYLENE POLYMERISATIONS BOREALIS TECH OY (FI) 2005-02-09 EP claimed
WO-2002046250-A2 CATALYST COMPOSITION, METHOD OF POLYMERIZATION AND POLYMER THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2002-06-13 WO claimed
EP-1084155-A1 CATALYST SYSTEM FOR ETHYLENE POLYMERISATIONS Borealis Technology Oy (FI) 2001-03-21 EP claimed
EP-0889911-B1 METALLOCENE COCATALYST DOW CHEMICAL CO (US) 2000-11-02 EP claimed
WO-1999052951-A1 CATALYST SYSTEM FOR ETHYLENE POLYMERISATIONS BOREALIS TECHNOLOGY OY (FI) 1999-10-21 WO claimed
EP-0889911-A1 METALLOCENE COCATALYST THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP claimed
WO-1997036937-A1 METALLOCENE COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-10-09 WO claimed
EP-0610852-B1 Process for preparing cyclo-olefin polymers HOECHST AG (DE) 1997-05-07 EP claimed
US-5545829-A Process for preparing cycloolefin copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-13 US claimed
EP-0540122-A1 Depolymerization of conjugated diene polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-05-05 EP claimed
US-5162446-A Contacting polymer with a biscyclopentadienyl zirconium compound SHELL OIL COMPANY (US) 1992-11-10 US claimed