SCHEMBL825558

SCHEMBL825558

[Li]C1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
GPR3 P46089 2/20 0.48
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL7631496 0.89 GPR3 (0.46) HTR2AGPR3ACHEBCHEHDAC3
SCHEMBL9017217 0.82 MEN1 (0.36) HTR2AGPR3ALDH1A1KMT2AMEN1
Ether SCHEMBL6746857 0.81 HTR2A (0.45) HTR2AGPR3ACHEBCHEPOLB
SCHEMBL29950614 0.76 GPR3 (0.50) HTR2AGPR3ACHEBCHEHDAC3
SCHEMBL524603 0.76 GPR3 (0.50) HTR2AGPR3ACHEBCHEHDAC3
Benzene SCHEMBL6809319 0.75 GPR3 (0.44) HTR2AGPR3ACHEBCHEHDAC3
SCHEMBL22770492 0.74 HTR2A (0.39) HTR2AGPR3ALDH1A1CYP2D6KMT2A
SCHEMBL1107108 0.73 GPR3 (0.48) HTR2AGPR3ACHEBCHEHDAC3
SCHEMBL21643694 0.71 GPR3 (0.41) HTR2AGPR3HDAC3HDAC4HDAC7
Fluoride Ion SCHEMBL3384407 0.71 GPR3 (0.46) HTR2AGPR3ACHEBCHEHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572750-B1 CONTINUOUS PROCESS FOR THE PRODUCTION OF CONTROLLED ARCHITECTURE MATERIALS UNDER HIGH SOLIDS LOADING CONDITIONS 3M INNOVATIVE PROPERTIES CO (US) 2013-06-19 EP claimed
EP-0870780-B1 Initiator system comprising an heterocyclic ligand for the anionic (co)polymerisation of (meth)acrylic monomers and polymerisation process using it ATOFINA (FR) 2004-09-15 EP claimed
EP-1304319-A2 Metallocenes and processes therefor and therewith Phillips Petroleum Company (US) 2003-04-23 EP claimed
US-6355747-B1 FOR POLYMERIZATION OF PROPYLENE TO PRODUCE ISOTACTIC POLYPROPYLENE SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2002-03-12 US claimed
US-6262204-B1 AS POLYMERIZATION INITIATOR FOR POLYMERIZATION OF (METH)ACRYLIC MONOMERS AND OPTIONALLY ETHYLENICALLY UNSATURATED MONOMERS ATOFINA (FR) 2001-07-17 US claimed
US-20010003726-A1 INITIATION SYSTEM COMPRISING AN AMINO ALCOHOLATE LIGAND FOR ANIONIC COPOLYMERIZATION OF (METH)ACRYLIC MONOMERS AND PROCESS USING SAME ELF ATOCHEM S.A. (FR) 2001-06-14 US claimed
EP-1077215-A1 Asymmetric silicon-bridged metallocenes useful as catalysts in the polymerization of a-olefins, process for their preparation and use of said metallocenes for the polymerization of a-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2001-02-21 EP claimed
US-6100416-A SUCH AS 1-(9-FLUORENYL)-2-(1-(2,4,7-TRIMETHYL)INDENYL)ETHANE ZIRCONIUM DICHLORIDE; SYNTHESIS FROM 1,2-DIBROMOETHANE, FLUORENYLLITHIUM, TRIMETHYLINDENYLLITHIUM, BUTYLLITHIUM AND TRANSITION METAL HALIDE; USE TO MAKE ISOTACTIC POLYPROPYLENE SOLVAY POLYOLEFINS EUROPE-BELGIUM (SOCIETE ANONYME) (BE) 2000-08-08 US claimed
US-6069207-A ANIONIC POLYMERIZATE OF AT LEAST TWO MONOMERS IN PRESENCE OF AT LEAST ONE ALKALI OR ALKALINE EARTH METAL, MONO- OR DIFUNCTIONAL INITIATOR AND LIGAND SELECTED FROM NONNITROGENOUS MACROCYCLIC COMPLEXANT OR ALKALI METAL ALCOHOLATE ELF ATOCHEM S.A. (FR) 2000-05-30 US claimed
EP-0962462-A2 Novel asymmetric ethylene-bridged metallocenes useful as catalysts in the polymerization of olefins and process for preparing said metallocenes SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 1999-12-08 EP claimed
US-5670592-A POLYMERIZATION WITH ORGANOLITHIUM COMPOUNDS, PYRIDINE AND ORGANOALUMINUM COMPOUNDS AS CATALYSTS ELF ATOCHEM S.A. (FR) 1997-09-23 US claimed
EP-0551221-B1 Process for the preparation of star or network multiblock polycondensates by coupling di- or multi-adhehydes, and polycondensate thus obtained ATOCHEM ELF SA (FR) 1997-06-04 EP claimed
US-5616752-A CYCLOPENTADIENYL-TYPE SILANE-CONTAINING POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1997-04-01 US claimed
US-5561207-A USING COORDINATION CATALYST ELF ATOCHEM S.A. (FR) 1996-10-01 US claimed
EP-0686647-A1 Process for preparing methyl methacrylate with high level of syndiotactic triads ELF ATOCHEM S.A. (FR) 1995-12-13 EP claimed
EP-0668297-A1 Living statistic (meth)acrylat copolymers, copolymers prepared from these living copolymers, and process for preparing these copolymers by anionic copolymerisation ELF ATOCHEM S.A. (FR) 1995-08-23 EP claimed
US-5399636-A Bound to inorganic support, olefin polymerization catalysts PHILLIPS PETROLEUM COMPANY (US) 1995-03-21 US claimed
EP-0628566-A1 Metallocenes and processes therefor and therewith PHILLIPS PETROLEUM COMPANY (US) 1994-12-14 EP claimed
US-5346956-A Process for manufacturing multisequence star or network polycondensates by di- or multi-aldehyde coupling, and polycondensates obtained ELF ATOCHEM S.A. (FR) 1994-09-13 US claimed
EP-0551221-A1 Process for the preparation of star or network multiblock polycondensates by coupling di- or multi-adhehydes, and polycondensate thus obtained ELF ATOCHEM S.A. (FR) 1993-07-14 EP claimed