SCHEMBL1029546

SCHEMBL1029546

CCC(C)(C)OOCC(C)(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACLY P53396 1/20 0.31

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
SCHEMBL28519723 0.84 LMNA (0.36) CYP2C9ACLY
SCHEMBL998423 0.80 CYP2C9 (0.37) CYP2C9ALDH1A1TSHRTDP1ACLY
SCHEMBL28509552 0.80 CYP2C9 (0.33) CYP2C9
SCHEMBL31164258 0.78 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL4916397 0.77 ACACB (0.33) CYP2C9
SCHEMBL5005106 0.77
Pivalate SCHEMBL8776383 0.77 CYP2C9 (0.35) CYP2C9ALDH1A1TSHRTDP1ACLY
SCHEMBL6674971 0.74 TSHR (0.35) ALDH1A1TSHRTDP1
SCHEMBL1362384 0.73 CYP2C9 (0.33) CYP2C9
Bicarbonate SCHEMBL21834047 0.72 TSHR (0.34) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343755-B1 TRANSPORTABLE AND SAFELY PACKAGED ORGANIC PEROXIDE FORMULATIONS COMPRISING REACTIVE PHLEGMATISERS AKZO NOBEL NV (NL) 2013-11-13 EP claimed
EP-0464153-A1 DEHALOGENATION OF ORGANIC COMPOUNDS USING TIN OR LEAD. UPJOHN CO (US) 1992-01-08 EP claimed
EP-2496611-B1 METHOD FOR PRODUCING AQUEOUS POLYACRYLIC ACID SOLUTIONS BASF SE (DE) 2016-03-23 EP disclosed
EP-2274339-B1 METHOD AND DEVICE FOR THE CONTINUOUS PRODUCTION OF POLYMERS BY RADICAL POLYMERIZATION BASF SE (DE) 2015-11-11 EP disclosed
EP-2496611-A1 PROCESS FOR PRODUCING AQUEOUS POLYACRYLIC ACID SOLUTIONS BASF SE (DE) 2012-09-12 EP disclosed
WO-2011054789-A1 PROCESS FOR PRODUCING AQUEOUS POLYACRYLIC ACID SOLUTIONS BASF SE (DE) 2011-05-12 WO disclosed
EP-2274339-A1 METHOD AND DEVICE FOR THE CONTINUOUS PRODUCTION OF POLYMERS BY RADICAL POLYMERIZATION BASF SE (DE) 2011-01-19 EP disclosed
WO-2009133186-A1 METHOD AND DEVICE FOR THE CONTINUOUS PRODUCTION OF POLYMERS BY RADICAL POLYMERIZATION BASF SE (DE) 2009-11-05 WO disclosed
EP-2027166-B1 METHOD FOR PRODUCING ETHYLENE COPOLYMERS BASF SE (DE) 2009-10-28 EP disclosed
EP-1057838-B1 Process for the preparation of polymer particles NOVA CHEM INT SA (CH) 2005-03-02 EP disclosed
EP-0957141-B1 Powder coating composition comprising unsaturated polyesters and uses thereof ROHM & HAAS DENMARK FINANCE AS (DK) 2004-02-25 EP disclosed
EP-1057838-A2 Process for the preparation of polymer particles Nova Chemicals (International) S.A. (CH) 2000-12-06 EP disclosed
EP-0957141-A1 Powder coating composition comprising unsaturated polyesters and uses thereof FERRO CORPORATION (US) 1999-11-17 EP disclosed
EP-0605856-B1 Process for the manufacture of p-hydroxystyrene polymers and use thereof BASF AG (DE) 1996-08-28 EP disclosed
EP-0343986-B1 Process for the suspension polymerization of 4-acetoxystyrene and hydrolysis to 4-hydroxystyrene polymers HOECHST CELANESE CORP (US) 1996-02-28 EP disclosed
EP-0444282-B1 Cross-linked copolymers based on cyclic esters and cyclic carbonates BAYER AG (DE) 1995-06-21 EP disclosed
EP-0605856-A2 Process for the manufacture of p-hydroxystyrene polymers and use thereof BASF Aktiengesellschaft (DE) 1994-07-13 EP disclosed
EP-0444282-A2 Cross-linked copolymers based on cyclic esters and cyclic carbonates BAYER AG (DE) 1991-09-04 EP disclosed
US-4962147-A POLYACRYLIC ACID AS SUSPENSION AID HOECHST CELANESE CORPORATION (US) 1990-10-09 US disclosed
EP-0343986-A2 Process for the suspension polymerization of 4-acetoxystyrene and hydrolysis to 4-hydroxystyrene polymers HOECHST CELANESE CORPORATION (US) 1989-11-29 EP disclosed