SCHEMBL5804649

SCHEMBL5804649

CCCCC=C1C=CC=C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
Methylamine SCHEMBL27504132 0.95 NFKB1 (0.34) NFKB1NFKB2RELATSHRALDH1A1
Ethylamine SCHEMBL27838288 0.93 NFKB1 (0.33) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL8995627 0.93 NFKB1 (0.43) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL8831765 0.91 NFKB1 (0.42) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL4390684 0.84
SCHEMBL5801975 0.73
SCHEMBL9080971 0.71
SCHEMBL9461285 0.69 TSHR (0.39) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL5824304 0.67 NFKB1 (0.50) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL27837926 0.65 TSHR (0.32) TSHRALDH1A1FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1245806-A Catalyst based on metal fulvene compounding ingredient BAYER AG (DE) 2000-03-01 CN claimed
CN-101434668-B Polyolefins MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-22 CN disclosed
CN-101434668-A Polyolefins MITSUI CHEMICALS INC (JP) 2009-05-20 CN disclosed
CN-100434433-C Metallocene compound and preparation method thereof, olefin polymerization catalyst, polyolefin and preparation method thereof MITSUI CHEMICALS INC (JP) 2008-11-19 CN disclosed
WO-2006076020-A2 FUEL COMPOSITIONS AND METHODS THEREOF FERNANDES JOSEPH B (US) 2006-07-20 WO disclosed
CN-1444592-A Process for preparing transition metal compounds and their use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2003-09-24 CN disclosed
CN-1327448-A Metallocene compound and preparation method thereof, olefin polymerization catalyst, polyolefin and preparation method thereof MITSUI CHEMICALS INC (JP) 2001-12-19 CN disclosed
CN-1278265-A Process for preparing fulvene metal complexes BAYER AG (DE) 2000-12-27 CN disclosed
US-6054405-A CONTAINING A FLUVENE COMPOUND UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-04-25 US disclosed
CN-1246486-A Catalyst system based on fulvene metal compound BAYER AG (DE) 2000-03-08 CN disclosed
CN-1245806-A Catalyst based on metal fulvene compounding ingredient BAYER AG (DE) 2000-03-01 CN disclosed
CN-1207105-A Catalyst system TARGOR GMBH (DE) 1999-02-03 CN disclosed
US-5650528-A Metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1997-07-22 US disclosed
US-5646323-A COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-07-08 US disclosed
US-5591879-A INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1997-01-07 US disclosed
US-5578741-A OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-11-26 US disclosed
US-5565396-A METALLOCENE AND AN ORGANOALUMINOXANE COCATALYST FOR HOMO OR COPOLYMERIZING OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed
US-5563284-A COORDINATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1996-10-08 US disclosed
US-5554795-A Process for preparing cyclopentadienyl-type ligands PHILLIPS PETROLEUM COMPANY (US) 1996-09-10 US disclosed