SCHEMBL618401

SCHEMBL618401

C1=CCC([Zr+2]C2=CC=CC2)=C1.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9079264 0.88
Benzene SCHEMBL7642237 0.86
SCHEMBL8663013 0.84
Water SCHEMBL29018953 0.83
Trifluoromethanesulfonic Acid SCHEMBL7200611 0.83 GPR3 (0.33)
SCHEMBL2191030 0.81
Iodide SCHEMBL8148073 0.81
Fluoride Ion SCHEMBL7641236 0.81
Bromide SCHEMBL618318 0.81
SCHEMBL6906377 0.80 L3MBTL1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5178874-A None JP disclosed
JP-5051407-A None JP disclosed
US-10870715-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2020-12-22 US disclosed
EP-3312200-B1 SOLID POLYALUMINOXANE COMPOSITION, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMER PRODUCTION METHOD AND SOLID POLYALUMINOXANE COMPOSITION PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2019-06-19 EP disclosed
US-10150823-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2018-12-11 US disclosed
US-10087262-B2 Ethylene polymer, stretch-molded product obtained by stretching the same, and method for producing ethylene polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-10-02 US disclosed
EP-3312200-A1 SOLID POLYALUMINOXANE COMPOSITION, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMER PRODUCTION METHOD AND SOLID POLYALUMINOXANE COMPOSITION PRODUCTION METHOD Mitsui Chemicals, Inc. (JP) 2018-04-25 EP disclosed
EP-2955187-B1 SOLID POLYALUMINOXANE COMPOSITION, CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2018-01-31 EP disclosed
US-20170298156-A1 ETHYLENE POLYMER, STRETCH-MOLDED PRODUCT OBTAINED BY STRETCHING THE SAME, AND METHOD FOR PRODUCING ETHYLENE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
US-20170240664-A1 SOLID POLYALUMINOXANE COMPOSITION, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMER PRODUCTION METHOD AND SOLID POLYALUMINOXANE COMPOSITION PRODUCTION METHOD MITSUI CHEMICALS, INC. (JP) 2017-08-24 US disclosed
EP-0575123-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 EP disclosed
US-5252529-A Coordination catalyst using a moisture-adsorbed carrier of a metal oxide; addition polymers having excellent melt tension and moldability and broad molecular weight distribution MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-12 US disclosed
EP-0552946-A1 Ethylene/alpha-olefin/7-methyl-1,6-octadiene copolymer rubber and composition of the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0552945-A2 Process for the preparation of polyolefin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
JP-H05178874-A NEW TRANSITION METALLIC COMPOUND AND ITS USE MITSUI PETROCHEM IND LTD 1993-07-20 JP disclosed
EP-0536503-A2 Olefin polymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-04-14 EP disclosed
EP-0534119-A2 Prepolymerized olefin polymerization catalyst and olefin polymerization process MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-31 EP disclosed
JP-H0551407-A OLEFIN POLYMERIZATION CATALYST AND POLYMERIZATION OF OLEFIN USING THE SAME MITSUI PETROCHEM IND LTD 1993-03-02 JP disclosed
EP-0516458-A2 Olefin polymerization solid catalyst, olefin polymerization catalyst and olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-12-02 EP disclosed
EP-0515132-A2 Olefin polymerization catalyst and olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-11-25 EP disclosed