SCHEMBL780427

SCHEMBL780427

CC(C)CCOC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC18A2 Q05940 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ACE P12821 1/20 0.36
PEPD P12955 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
Ethylene Glycol SCHEMBL1296967 0.95 PPARG (0.42) PPARGTP53CYP3A4GAARAB9A
SCHEMBL780426 0.93 TP53 (0.46) PPARGTP53CYP3A4GAARAB9A
SCHEMBL1296806 0.90 TP53 (0.39) PPARGTP53CYP3A4GAARAB9A
SCHEMBL1296461 0.89 TP53 (0.38) PPARGTP53CYP3A4GAARAB9A
SCHEMBL1297245 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A
SCHEMBL5525257 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A
SCHEMBL5519996 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A
SCHEMBL1297249 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A
SCHEMBL5514552 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A
SCHEMBL5519589 0.88 TP53 (0.37) PPARGTP53CYP3A4GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838945-B1 COMPOSITION COMPRISING AT LEAST ONE BIODEGRADABLE POLYMER AND AT LEAST ONE PLASTICISER BIO ON SPA (IT) 2016-06-08 EP claimed
US-8283411-B2 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-09 US claimed
US-20120071598-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US claimed
US-8084534-B2 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-12-27 US claimed
US-20110040001-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2011-02-17 US claimed
EP-1192212-B1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AG (DE) 2006-01-04 EP claimed
US-20020019559-A1 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BRUNNER MELANIE (DE) 2002-02-14 US claimed
US-11925920-B2 Catalyst for hydrogenation of aromatic compound and preparation method therefor HANWHA CHEMICAL CORPORATION (KR) 2024-03-12 US disclosed
US-20200316564-A1 CATALYST FOR HYDROGENATION OF AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR HANWHA CHEMICAL CORPORATION (KR) 2020-10-08 US disclosed
EP-3708251-A2 CATALYST FOR HYDROGENATION OF AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR Hanwha Chemical Corporation (KR) 2020-09-16 EP disclosed
CN-111315479-A Catalyst for hydrogenation reaction of aromatic compound and method for producing the same 韩华化学株式会社 2020-06-19 CN disclosed
EP-3510012-A1 PROCESSES FOR THE HYDROGENATION OF PHTHALATE ESTERS ExxonMobil Chemical Patents Inc. (US) 2019-07-17 EP disclosed
US-20190185404-A1 PROCESSES FOR THE HYDROGENATION OF PHTHALATE ESTERS EXXONMOBIL CHEMICAL PATENTS INC. 2019-06-20 US disclosed
US-20050020718-A1 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. 2005-01-27 US disclosed
EP-1432758-A1 PLASTICISED POLYVINYL CHLORIDE ExxonMobil Chemical Patents Inc. (US) 2004-06-30 EP disclosed
WO-2004046076-A2 HYDROGENATION CATALYST, PREPARATION THEREOF AND HYDROGENATION PROCESSES USING THIS CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO disclosed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO disclosed
WO-2003029339-A1 PLASTICISED POLYVINYL CHLORIDE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-04-10 WO disclosed
US-20020019559-A1 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BRUNNER MELANIE (DE) 2002-02-14 US disclosed
US-6284917-B1 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed