SCHEMBL6066261

SCHEMBL6066261

CCCC1=CCC([Zr]C2=C(C)C(CCC)=CC2)=C1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
KCNH2 Q12809 2/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TP53 P04637 1/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
CNR2 P34972 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 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
SCHEMBL8085635 0.86
SCHEMBL4467596 0.80 MAOA (0.36) KCNH2MAOAMAOBTAAR1PKM
SCHEMBL6916167 0.74 SIGMAR1 (0.37) SIGMAR1KCNH2MAOAMAOBTP53
Water SCHEMBL27929161 0.70 TP53 (0.55) SIGMAR1KCNH2TP53DRD3TAAR1
SCHEMBL4868254 0.68 MAOB (0.35) KCNH2MAOAMAOBTAAR1PKM
SCHEMBL6546791 0.68 MAOA (0.56) SIGMAR1KCNH2MAOAMAOBTP53
SCHEMBL40575 0.67
Benzene SCHEMBL28308118 0.67 TP53 (0.58) SIGMAR1KCNH2TP53DRD3TAAR1
Butane SCHEMBL6866259 0.67 TP53 (0.58) SIGMAR1KCNH2MAOAMAOBTP53
Benzene SCHEMBL3223041 0.67 TP53 (0.58) SIGMAR1KCNH2TP53DRD3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889911-B1 METALLOCENE COCATALYST DOW CHEMICAL CO (US) 2000-11-02 EP 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
CN-115260366-A Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2022-11-01 CN disclosed
CN-110603274-B Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2022-09-30 CN disclosed
CN-110612315-B Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2022-08-26 CN disclosed
CN-110582518-B Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2022-08-09 CN disclosed
CN-112004818-A Silicon-terminated organometallic compounds and methods of making the same 陶氏环球技术有限责任公司 2020-11-27 CN disclosed
CN-110612315-A Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2019-12-24 CN disclosed
CN-110603274-A Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2019-12-20 CN disclosed
CN-110582518-A Catalyst system for forming multi-block copolymers 陶氏环球技术有限责任公司 2019-12-17 CN disclosed
WO-1998045337-A1 CATALYST SYSTEM FOR HIGH YIELD SYNTHESIS OF POLYOLEFINS THE DOW CHEMICAL COMPANY (US) 1998-10-15 WO disclosed
WO-1998009995-A1 INCORPORATION OF FREE RADICAL INHIBITORS IN POLYOLEFINS THE DOW CHEMICAL COMPANY (US) 1998-03-12 WO disclosed
WO-1997049738-A1 INCORPORATION OF FUNCTIONALIZED COMONOMERS IN POLYOLEFINS THE DOW CHEMICAL COMPANY (US) 1997-12-31 WO disclosed
WO-1997044371-A1 POLYOLEFIN COMPOSITION WITH MOLECULAR WEIGHT MAXIMUM OCCURING IN THAT PART OF THE COMPOSITION THAT HAS THE HIGHEST COMONOMER CONTENT THE DOW CHEMICAL COMPANY (US) 1997-11-27 WO disclosed
WO-1997043294-A1 YTTRIUM CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1997-11-20 WO disclosed
WO-1997036942-A1 OLEFIN SOLUTION POLYMERIZATION THE DOW CHEMICAL COMPANY (US) 1997-10-09 WO disclosed
WO-1997036937-A1 METALLOCENE COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-10-09 WO disclosed
WO-1997035893-A1 HIGHLY SOLUBLE OLEFIN POLYMERIZATION CATALYST ACTIVATOR THE DOW CHEMICAL COMPANY (US) 1997-10-02 WO disclosed
WO-1997035892-A1 SOLUTION POLYMERIZATION PROCESS WITH DISPERSED CATALYST ACTIVATOR THE DOW CHEMICAL COMPANY (US) 1997-10-02 WO disclosed