SCHEMBL618833

SCHEMBL618833

C1=CCC([Zr+2]C2=CC=CC2)=C1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TLR9 Q9NR96 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 4/20 0.34
MMP2 P08253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL6906377 0.87 L3MBTL1 (0.34) GAACA1CA2CA12CA3
Hydrochloric Acid SCHEMBL7196795 0.85 L3MBTL1 (0.33) GAACA1CA2CA12CA3
SCHEMBL618401 0.80
SCHEMBL9079264 0.77
SCHEMBL8654442 0.77 GAA (0.39) GAACA1CA2CA12CA3
Benzene SCHEMBL7642237 0.75
Trifluoromethanesulfonic Acid SCHEMBL618219 0.74 GPR3 (0.33) ACHE
SCHEMBL6917586 0.73 GAA (0.62) GAACA1CA2CA12CA3
SCHEMBL2138368 0.73 GAA (0.62) GAACA1CA2CA12CA3
SCHEMBL10663598 0.73 GAA (0.62) GAACA1CA2CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9676879-B2 Solid polyaluminoxane composition, olefin polymerization catalyst, olefin polymer production method and solid polyaluminoxane composition production method MITSUI CHEMICALS, INC. (JP) 2017-06-13 US disclosed
EP-1348721-B2 Process for producing polyolefin MITSUI CHEMICALS INC (JP) 2017-05-10 EP disclosed
EP-0587365-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-03-16 EP disclosed
EP-0582480-A2 Olefin polymerization catalyst and method for the polymerization of olefin using said polymerization catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-02-09 EP 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
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
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