SCHEMBL6351672

SCHEMBL6351672

CC1=C([Ti])c2ccccc2C1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.38
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.30
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL1941203 0.77 GPR3 (0.38) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL27521611 0.75 GPR3 (0.33) GPR3DRD2DRD4TYR
SCHEMBL6345077 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL4652590 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL40599 0.73 GPR3 (0.52) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL29641604 0.73 GPR3 (0.52) GPR3DRD2DRD4HTR2AHTR7
Ethylene SCHEMBL10454711 0.72 GPR3 (0.34) GPR3DRD2DRD4HTR2AHTR7
Hydrochloric Acid SCHEMBL6346402 0.72 GPR3 (0.34) GPR3DRD2DRD4HTR2AHTR7
Hydrochloric Acid SCHEMBL2357068 0.71 GPR3 (0.33) GPR3DRD2DRD4
SCHEMBL9681201 0.67 TDP1 (0.33) GPR3HTR2AHTR7HTR2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838409-B1 Catalyst for olefin/styrene copolymerization, and process for producing olefin/styrene copolymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-6825294-B1 TRANSITION METAL COMPLEX COMPRISING OXYGEN-CONTAINING AND CARBONYL COMPOUNDS; AND ALKYLATING AGENT; SYNDIOTACTIC ADDITION POLMERIZATION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-6562918-B1 A catalyst for olefin polymerization, which is obtained by contacting (A) a compound of a transition metal of Groups 4 to 6 of the Periodic Table, (B) an organoaluminiumoxy compound, and optionally (C) a carrier with each other, and for which IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-05-13 US disclosed
US-6486272-B1 METAL COMPOUND INTERACTS WITH A VINYL COMPOUND WITH A FUNCTIONAL GROUP TO MASK IT AND COPOLYMERIZING WITH A STYRENE IN THE PRESENCE OF TRANSITION METAL COMPOUND, OXYGEN COMPOUNDS WHICH FORM IONIC COMPLEXES, AND AN ORGANOMETALLIC COMPOUND IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-11-26 US disclosed
US-20020173605-A1 PROCESS FOR PRODUCING FUNCTIONAL STYRENE COPOLYMER AND FUNCTIONAL STYRENE COPOLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2002-11-21 US disclosed
EP-1219649-A1 PROCESS FOR PRODUCING FUNCTIONAL STYRENE COPOLYMER AND FUNCTIONAL STYRENE COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-07-03 EP disclosed
EP-1167393-A1 CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-01-02 EP disclosed
EP-1167394-A1 CATALYST FOR OLEFIN/STYRENE COPOLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN/STYRENE COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-01-02 EP disclosed
US-6255244-B1 OBTAINED BY CONTACTING A TRANSITION METAL COMPOUND, AN OXYGEN-CONTAINING COMPOUND TO FORM AN IONIC COMPLEX, AND AN ADSORBING SUBSTANCE DURING OR AFTER THE CONTACTING TREATMENT, THEN FOLLOWED BY REMOVING THE ADSORBING SUBSTANCE. IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-07-03 US disclosed
EP-1085025-A1 CATALYST FOR OLEFIN POLYMERIZATION, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING OLEFIN POLYMER Idemitsu Petrochemical Co., Ltd. (JP) 2001-03-21 EP disclosed
EP-1085026-A1 CATALYST FOR POLYMERIZING STYRENE AND OTHER MONOMER AND PROCESS FOR PRODUCING STYRENE POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-21 EP disclosed