Acetic Acid Isobutyl Ester

Acetic Acid Isobutyl Ester

SCHEMBL4975640

CC(=O)OCC(C)C.CCOC(C)=O

nearest known ligand 0.67

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
LMNA P02545 2/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GPR35 Q9HC97 1/20 0.36
MMP8 P22894 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TRPA1 O75762 1/20 0.36

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
Acetic Acid Isobutyl Ester SCHEMBL8996862 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL28253103 0.91 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL22678 0.90
Acetic Acid Isobutyl Ester SCHEMBL27572527 0.90 TSHR (0.58) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL5698773 0.88 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL4494304 0.88 TSHR (0.52) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL8905422 0.87
Acetic Acid Isobutyl Ester SCHEMBL1533352 0.87 TSHR (0.56) ALDH1A1LMNAHSD17B10TSHRTDP1
Acetic Acid Isobutyl Ester SCHEMBL21641877 0.87
Acetic Acid Isobutyl Ester SCHEMBL28592812 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584791-A Method for refining pantoprazole optical enantiomer SHAANXI HECHENG PHARMACEUTICALS CO LTD 2012-07-18 CN disclosed
CN-101906026-A Method of producing reduced coenzyme Q10 using solvent with high oxidation-protective effect KANEGAFUCHI CHEMICAL IND 2010-12-08 CN disclosed
CN-101774996-A Method of producing reduced coenzyme Q10 using solvent with high oxidation-protective effect KANEGAFUCHI CHEMICAL IND 2010-07-14 CN disclosed
US-20080103317-A1 Processes for preparation of crystalline mycophenolate sodium MOLNAR SANDOR 2008-05-01 US disclosed
US-20080097096-A1 Processes for preparation of crystalline mycophenolate sodium MOLNAR SANDOR 2008-04-24 US disclosed
EP-1908756-A1 Processes for preparation of crystalline mycophenolate sodium TEVA Gyógyszergyár Zártkörüen Müködö Részvénytársaság (HU) 2008-04-09 EP disclosed
CN-100349994-C Coating film forming method and coating composition NIPPON OILS & FATS CO LTD (JP) 2007-11-21 CN disclosed
CN-100344595-C Purification of reduced coenzyme Q10Method (2) KANEGAFUCHI CHEMICAL IND (JP) 2007-10-24 CN disclosed
CN-1861556-A Method of producing reduced coenzyme q10 crystals with excellent handling properties KANEGAFUCHI CHEMICAL IND (JP) 2006-11-15 CN disclosed
EP-1699773-A2 PROCESSES FOR PREPARATION OF CRYSTALLINE MYCOPHENOLATE SODIUM Ceva Gyogyszergyar R Szv Nytarsasag (HU) 2006-09-13 EP disclosed
CN-1254462-C Reduced coenzyme Q10Method for stabilization of (3) and method for acid crystallization KANEGAFUCHI CHEMICAL IND (JP) 2006-05-03 CN disclosed
US-20060069150-A1 Processes for preparation of crystalline mycophenolate sodium TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2006-03-30 US disclosed
WO-2006012379-A2 PROCESSES FOR PREPARATION OF CRYSTALLINE MYCOPHENOLATE SODIUM TEVA GYÓGYSZERGYÁR ZÀRTKÖRUEN MUKÖDO RÈSZVÈNYTÀRSASÀG (HU) 2006-02-02 WO disclosed
CN-1723181-A Method of purifying reduced coenzyme Q KANEGAFUCHI CHEMICAL IND (JP) 2006-01-18 CN disclosed
CN-1527807-A Production of reduced coenzyme Q using solvent having high antioxidation effect10Method (2) ��Ԩ��ѧ��ҵ��ʽ���� 2004-09-08 CN disclosed
CN-1527806-A Production of reduced coenzyme Q having excellent handling Properties10Method for producing crystals 钟渊化学工业株式会社 2004-09-08 CN disclosed
CN-1525951-A Reduced coenzyme Q10Method for stabilization of (3) and method for acid crystallization ��Ԩ��ѧ��ҵ��ʽ���� 2004-09-01 CN disclosed
CN-1263545-A Method for formation of coating film and coating composition NIPPON OILS & FATS CO LTD (JP) 2000-08-16 CN disclosed
EP-0205505-A1 A LIQUID FOR REMOVING PRINTING AND SCREEN PRINTING INKS. CPS KEMI APS (DK) 1986-12-30 EP disclosed
WO-1986003766-A1 A LIQUID FOR REMOVING PRINTING AND SCREEN PRINTING INKS CPS KEMI APS (DK) 1986-07-03 WO disclosed