SCHEMBL3945376

SCHEMBL3945376

CC(C)CC1(C(=O)O)C=CC=CC1(CC(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
Cyclohexane SCHEMBL31251876 0.94 CYP2C19 (0.32) MAPK1CYP2C19
SCHEMBL14977418 0.75 CYP3A4 (0.30)
SCHEMBL21950901 0.73 FFAR3 (0.32)
SCHEMBL21950896 0.73 FFAR3 (0.32)
SCHEMBL8718879 0.72 MMP9 (0.37)
SCHEMBL3940331 0.70 FFAR3 (0.31)
SCHEMBL21950865 0.70 FFAR3 (0.31)
SCHEMBL21950897 0.70 FFAR3 (0.31)
Cyclohexane SCHEMBL31251934 0.69 MMP9 (0.35)
SCHEMBL10900629 0.67 CYP2C19 (0.38) CYP2D6CYP2C19

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074568-B2 Foundry binder systems CAVENAGHI SPA (IT) 2006-03-29 EP claimed
EP-0815098-B1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN SPEC CHEM CORP (US) 2004-04-21 EP claimed
EP-1074568-B1 Foundry binder systems CAVENAGHI SPA (IT) 2002-10-09 EP claimed
EP-1074568-A2 Foundry binder systems Cavenaghi SPA (IT) 2001-02-07 EP claimed
US-6051524-A COORDINATION CATALYST BP AMOCO CORPORATION (US) 2000-04-18 US claimed
CN-112063219-B Solvent system and composition thereof 罗狄亚聚酰胺特殊品有限公司 2022-12-20 CN disclosed
CN-112063219-A Solvent system and composition thereof 罗狄亚聚酰胺特殊品有限公司 2020-12-11 CN disclosed
CN-104995265-B Solvent system and composition thereof 罗狄亚聚酰胺特殊品有限公司 2020-12-08 CN disclosed
EP-1385816-B1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF SE (DE) 2009-04-15 EP disclosed
EP-1074568-B2 Foundry binder systems CAVENAGHI SPA (IT) 2006-03-29 EP disclosed
EP-1385816-A1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2004-02-04 EP disclosed
WO-2002085834-A1 METHOD FOR PURIFYING AN ORGANIC SOLVENT FOR THE PURPOSE OF ABSORPTION OF MALEIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed
EP-1074568-B1 Foundry binder systems CAVENAGHI SPA (IT) 2002-10-09 EP disclosed
EP-1074568-A2 Foundry binder systems Cavenaghi SPA (IT) 2001-02-07 EP disclosed
EP-0652905-B1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST AMOCO CORP (US) 1996-10-02 EP disclosed
EP-0652905-A1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST. AMOCO CORP (US) 1995-05-17 EP disclosed
US-5332707-A Coordination catalysts of magnesium, titanium with hafnium or zirconium for olefin polymerization AMOCO CORPORATION (US) 1994-07-26 US disclosed
WO-1994003508-A1 OLEFIN POLYMERIZATION AND COPOLYMERIZATION CATALYST AMOCO CORPORATION (US) 1994-02-17 WO disclosed
US-5223466-A Solid, hydrocarbon-insoluble supported catalyst containing magnesium and titanium for stereoregular polymerization AMOCO CORPORATION (US) 1993-06-29 US disclosed