SCHEMBL2731840

SCHEMBL2731840

C=CCC1(CC=C)CC(O)CC(CC=C)(CC=C)N1[O]

nearest known ligand 0.00

⚠ 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
SCHEMBL2731842 0.81
SCHEMBL2732304 0.79
SCHEMBL3741377 0.78
SCHEMBL3927845 0.75
SCHEMBL5864554 0.75
SCHEMBL2732647 0.71
SCHEMBL4386889 0.71
SCHEMBL15810151 0.69
SCHEMBL2246628 0.67
SCHEMBL28790465 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927717-B1 PROCESS FOR PRODUCING HYDROPEROXIDES MITSUI CHEMICALS INC (JP) 2002-09-18 EP claimed
US-6291718-B1 OXIDIZING AN ARYLALKYL HYDROCARBON (E.G. CUMENE) IN OXYGEN-CONTAINING GAS IN PRESENCE OF COMPOUNDS (E.G. TETRAMETHYL PIPERIDINEOXIDE0 TO PRODUCE HYDROPEROXIDE COMPOUND (E.G. CUMEME HYDROPEROXIDE) MITSUI CHEMICALS, INC. (JP) 2001-09-18 US claimed
EP-0927717-A1 PROCESS FOR PRODUCING HYDROPEROXIDES Mitsui Chemicals, Inc. (JP) 1999-07-07 EP claimed
US-20180037531-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt DOW GLOBAL TECHNOLOGIES LLC (US) 2018-02-08 US disclosed
US-9796650-B2 Inhibitor combination for lithium salt-catalyzed transesterification process and method for removing lithium salt DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-24 US disclosed
CN-107043430-A Polyester and resin composition 花王株式会社 2017-08-15 CN disclosed
CN-105073784-B Fine cellulose fiber complex 花王株式会社 2017-03-15 CN disclosed
CN-104024334-B Polyester resin composition 花王株式会社 2017-03-01 CN disclosed
EP-3087049-A1 INHIBITOR COMBINATION FOR LITHIUM SALT-CATALYZED TRANSESTERIFICATION PROCESS AND METHOD FOR REMOVING LITHIUM SALT Dow Global Technologies Llc (US) 2016-11-02 EP disclosed
US-20160297736-A1 Inhibitor Combination for Lithium Salt-Catalyzed Transesterification Process and Method for Removing Lithium Salt DOW GLOBAL TECHNOLOGIES LLC 2016-10-13 US disclosed
WO-2015099915-A1 INHIBITOR COMBINATION FOR LITHIUM SALT-CATALYZED TRANSESTERIFICATION PROCESS AND METHOD FOR REMOVING LITHIUM SALT DOW GLOBAL TECHNOLOGIES LLC (US) 2015-07-02 WO disclosed
CN-1213995-C Method for the production of esters of unsaturated carboxylic acids BASF AG (DE) 2005-08-10 CN disclosed
CN-1434793-A Method for producing unsaturated carboxylic acid ester BASF AG (DE) 2003-08-06 CN disclosed
US-6476276-B2 Process for preparation of hydroperoxides MITSUI CHEMICALS, INC. (JP) 2002-11-05 US disclosed
EP-0927717-B1 PROCESS FOR PRODUCING HYDROPEROXIDES MITSUI CHEMICALS INC (JP) 2002-09-18 EP disclosed
EP-1216992-A1 Process for preparing hyperoxides Mitsui Chemicals, Inc. (JP) 2002-06-26 EP disclosed
EP-1216993-A1 Process for preparing hydroperoxides Mitsui Chemicals, Inc. (JP) 2002-06-26 EP disclosed
US-20020002313-A1 Process for preparation of hydroperoxides MITSUI CHEMICALS, INC. 2002-01-03 US disclosed
US-6291718-B1 OXIDIZING AN ARYLALKYL HYDROCARBON (E.G. CUMENE) IN OXYGEN-CONTAINING GAS IN PRESENCE OF COMPOUNDS (E.G. TETRAMETHYL PIPERIDINEOXIDE0 TO PRODUCE HYDROPEROXIDE COMPOUND (E.G. CUMEME HYDROPEROXIDE) MITSUI CHEMICALS, INC. (JP) 2001-09-18 US disclosed
EP-0927717-A1 PROCESS FOR PRODUCING HYDROPEROXIDES Mitsui Chemicals, Inc. (JP) 1999-07-07 EP disclosed