Acetic Acid Isobutyl Ester

Acetic Acid Isobutyl Ester

SCHEMBL5698773

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

nearest known ligand 0.52

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
PRKCA P17252 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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 SCHEMBL2379796 0.94 ALDH1A1 (0.47) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL700649 0.90 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL472049 0.89 TSHR (0.47) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL4975640 0.88 ALDH1A1 (0.67) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL27572527 0.88 TSHR (0.58) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL22678 0.88
Acetic Acid Isobutyl Ester SCHEMBL28269264 0.86 TSHR (0.53) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL4494304 0.86 TSHR (0.52) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL1821136 0.86 TSHR (0.46) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Isobutyl Ester SCHEMBL18229923 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117413022-A Composition, method for producing cured product, and cured product 株式会社ADEKA 2024-01-16 CN disclosed
CN-109219607-A The crystal form of the succinate of dipeptidyl peptidase-IV inhibitor 山东轩竹医药科技有限公司 2019-01-15 CN disclosed
EP-1947128-B1 THERMOSETTING RESIN COMPOSITION AND PHOTOSEMICONDUCTOR ENCAPSULATION MATERIAL ASAHI KASEI CHEMICALS CORP (JP) 2013-10-09 EP disclosed
EP-1674919-A1 SEALANT FOR LIQUID CRYSTAL, LIQUID-CRYSTAL DISPLAY MADE WITH THE SAME, AND PROCESS FOR PRODUICNG THE DISPLAY Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 EP disclosed
EP-0853116-B1 Detergent composition for removing resinous stains KAO CORP (JP) 2002-08-14 EP disclosed
US-5954891-A ANTISOILANTS OF NONIONIC DETERGENTS ADHERED USING THE DETERGENT COMPOSITION AS DEFINED IN CLAIM 1 OR 2; KAO CORPORATION (JP) 1999-09-21 US disclosed
EP-0853116-A1 Detergent composition for removing resinous stains KAO CORPORATION (JP) 1998-07-15 EP disclosed