SCHEMBL886981

SCHEMBL886981

[C]1=C2C=CC=CC2c2ccc3ccccc3c21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP2A6 P11509 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPRT1 P00492 1/20 0.32
CYP1A2 P05177 3/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HPGD P15428 2/20 0.31
KDM1A O60341 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
THRB P10828 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
SCHEMBL4623004 0.69
SCHEMBL987554 0.68 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL13837563 0.66 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5691255 0.65 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL672770 0.63 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11023640 0.61 KDM1A (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL21248276 0.59 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL21244336 0.58 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.57 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.57 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725592-B1 IONIC LIQUIDS FOR HETEROGENISING METALLOCENE CATALISTS TOTAL PETROCHEMICALS RES FELUY (BE) 2011-05-11 EP claimed
US-7598200-B2 Ionic liquids for heterogenising metallocene catalysts TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-10-06 US claimed
US-20070270560-A1 Ionic Liquids for Heterogenising Metallocene Catalysts TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-11-22 US claimed
EP-1725592-A1 IONIC LIQUIDS FOR HETEROGENISING METALLOCENE CATALISTS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2006-11-29 EP claimed
WO-2005085305-A1 IONIC LIQUIDS FOR HETEROGENISING METALLOCENE CATALYSTS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2005-09-15 WO claimed
EP-1571163-A1 Ionic liquids as solvents in metallocene catalysis TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2005-09-07 EP claimed
CN-116156921-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2023-05-23 CN disclosed
US-11643485-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2023-05-09 US disclosed
WO-2021082714-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-05-06 WO disclosed
US-10633471-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2020-04-28 US disclosed
US-20200031965-A1 ETHYLENE-BASED POLYMER, POLYETHYLENE-BASED RESIN COMPOSITION AND USE THEREOF, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, OLEFIN POLYMERIZATION CATALYST CONTAINING THE COMPONENT, AND METHOD FOR PRODUCING ETHYLENE-BASED POLYMER BY USING THE CATALYST JAPAN POLYETHYLENE CORPORATION (JP) 2020-01-30 US disclosed
US-20180237565-A1 ETHYLENE-BASED POLYMER, POLYETHYLENE-BASED RESIN COMPOSITION AND USE THEREOF, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, OLEFIN POLYMERIZATION CATALYST CONTAINING THE COMPONENT, AND METHOD FOR PRODUCING ETHYLENE-BASED POLYMER BY USING THE CATALYST JAPAN POLYETHYLENE CORPORATION (JP) 2018-08-23 US disclosed
US-9975972-B2 Ethylene-based polymer, polyethylene-based resin composition and use thereof, catalyst component for olefin polymerization, olefin polymerization catalyst containing the component, and method for producing ethylene-based polymer by using the catalyst JAPAN POLYETHYLENE CORPORATION (JP) 2018-05-22 US disclosed
WO-2006045738-A1 POLYOLEFINS PREPARED FROM A METALLOCENE AND A NEW SINGLE SITE CATALYST COMPONENTS IN A SINGLE REACTOR TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2006-05-04 WO disclosed
EP-1650231-A1 Polyolefins prepared from a metallocene and a new single site catalyst components in a single reactor TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2006-04-26 EP disclosed
EP-1571163-A1 Ionic liquids as solvents in metallocene catalysis TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2005-09-07 EP disclosed
US-6852809-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-08 US disclosed
US-20010041775-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-15 US disclosed
EP-1113025-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed