SCHEMBL22466

SCHEMBL22466

CC1=CC(=O)C(C)C(C)C1=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
SCHEMBL31679699 0.76
SCHEMBL6895210 0.72
SCHEMBL14084133 0.65
SCHEMBL12670167 0.65
SCHEMBL5456336 0.65 MAPT (0.41)
SCHEMBL11023791 0.65
SCHEMBL13146757 0.65
SCHEMBL4072850 0.64 MAPT (0.32)
SCHEMBL14493729 0.64 MEN1 (0.36)
SCHEMBL2229054 0.62 NPSR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018108606-A1 PROCESS FOR THE MANUFACTURE OF 6,10-DIMETHYLUNDECAN-2-ONE, ISOPHYTOL, ALPHA-TOCOPHEROL (ACETATE) AND FURTHER INTERMEDIATES THEREOF DSM IP ASSETS B.V. (NL) 2018-06-21 WO claimed
WO-2012025587-A9 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2017-01-05 WO claimed
EP-2609079-B1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS BV (NL) 2015-05-06 EP claimed
US-8809591-B2 Process for the manufacture of TMHQ DSM IP ASSETS B.V. (NL) 2014-08-19 US claimed
US-20130211080-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2013-08-15 US claimed
EP-2609079-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP Assets B.V. (NL) 2013-07-03 EP claimed
WO-2012025587-A1 PROCESS FOR THE MANUFACTURE OF TMHQ DSM IP ASSETS B.V. (NL) 2012-03-01 WO claimed
EP-4330244-A1 COUPLING OF 2,3,5-TRIMETHYLHYDROQUINONE AND UNSATURATED ALCOHOLS DSM IP Assets B.V. (NL) 2024-03-06 EP disclosed
CN-115536600-A Diamine-substituted hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2022-12-30 CN disclosed
EP-4077259-A1 FORMATION OF 2,3,5-TRIMETHYLHYDROQUINONE FROM 2,3,6-TRIMETHYLPHENOL DSM IP Assets B.V. (NL) 2022-10-26 EP disclosed
EP-4077259-A1 FORMATION OF 2,3,5-TRIMETHYLHYDROQUINONE FROM 2,3,6-TRIMETHYLPHENOL DSM IP Assets B.V. (NL) 2022-10-26 EP disclosed
WO-2021122436-A1 PROCESS FOR THE PREPARATON OF HYDROQUINONES DSM IP ASSETS B.V. (NL) 2021-06-24 WO disclosed
WO-2021122439-A1 FORMATION OF ALPHA TOCOPHEROL FROM 2,3,6-TRIMETHYLPHENOL DSM IP ASSETS B.V. (NL) 2021-06-24 WO disclosed
WO-2005121115-A1 PROCESS FOR THE MANUFACTURE OF CHROMAN DERIVATIVES, ESPECIALLY α-TOCOPHEROL AND ALKANOATES THEREOF DSM IP ASSETS B.V. (NL) 2005-12-22 WO disclosed
WO-2005054223-A2 PROCESS FOR THE MANUFACTURE OF ALKENYLATED HYDROXYLATED AROMATIC COMPOUNDS, OF CHROMAN COMPOUNDS AND OF THEIR ACYLATED DERIVATIVES DSM IP ASSETS B.V. (NL) 2005-06-16 WO disclosed
EP-1463708-A1 MANUFACTURE OF TRIMETHYLHYDROQUINONE DIACYLATES DSM IP Assets B.V. (NL) 2004-10-06 EP disclosed
WO-2003051812-A1 MANUFACTURE OF TRIMETHYLHYDROQUINONE DIACYLATES DSM IP ASSETS B.V. (NL) 2003-06-26 WO disclosed
EP-0417651-A2 Thermotropic aromatic polyester UBE INDUSTRIES, LTD. (JP) 1991-03-20 EP disclosed
EP-0035635-B2 PROCESS FOR THE PREPARATION OF TRIMETHYL BENZOQUINONE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-04-06 EP disclosed
EP-0035635-A1 Process for the preparation of trimethyl benzoquinone F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-16 EP disclosed