SCHEMBL6252946

SCHEMBL6252946

CC1C2=C(CCCC2[Ti])c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
GPR3 P46089 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
DRD2 P14416 5/20 0.31
DRD4 P21917 5/20 0.31
ADRA2C P18825 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
HTR3A P46098 1/20 0.31
PDE4D Q08499 1/20 0.31
IDO1 P14902 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
SCHEMBL31039636 0.82 GPR3 (0.31) GPR3BCHEACHEDRD2DRD4
SCHEMBL6250424 0.82 GPR3 (0.31) GPR3BCHEACHEDRD2DRD4
Hydrochloric Acid SCHEMBL6250421 0.81 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL31039632 0.81 GPR3 (0.30) GPR3
SCHEMBL30150731 0.80
SCHEMBL6343794 0.80 HTR2A (0.33)
SCHEMBL28429503 0.76
SCHEMBL31039634 0.73 ADRA2C (0.30) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6253720 0.73 ADRA2C (0.30) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2232944 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671416-B1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO (JP) 2005-08-31 EP disclosed
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
EP-0811628-B1 METHYLALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO (JP) 2003-03-05 EP 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-1167394-A1 CATALYST FOR OLEFIN/STYRENE COPOLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN/STYRENE COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-01-02 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-0659774-B1 Process for producing styrenic polymer IDEMITSU KOSAN CO (JP) 1999-03-03 EP disclosed
EP-0675139-B1 Process for producing styrenic polymer IDEMITSU KOSAN CO (JP) 1998-10-14 EP disclosed
US-5756612-A COORDINATION CATALYST FOR STYRENE POLYMERIZATION WITH COMPOUNDS OF ALUMINUM, MAGNESIUM AND ZINC IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
EP-0811628-A1 ORGANIC ALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-12-10 EP disclosed
US-5623034-A Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1997-04-22 US disclosed
US-5596054-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
US-5596055-A Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
EP-0675139-A1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1995-10-04 EP disclosed
EP-0671416-A1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-09-13 EP disclosed
EP-0659774-A2 Process for producing styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-06-28 EP disclosed