Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL4356071

CCCCCC(C)=O.CCCCOC(C)=O

nearest known ligand 0.75

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
DGKA P23743 1/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 4/20 0.46
NAAA Q02083 1/20 0.45
CES2 O00748 5/20 0.44
CES1 P23141 4/20 0.44
HPGD P15428 1/20 0.44
AKR1B1 P15121 1/20 0.43
EPHX1 P07099 1/20 0.42
DNM1 Q05193 1/20 0.42
FAAH O00519 1/20 0.42

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 Butyl Ester SCHEMBL1577486 0.89 ALDH1A1 (0.95) ALDH1A1DGKAATMTSHRNAAA
SCHEMBL28184148 0.88 ALDH1A1 (0.57) ALDH1A1DGKATSHRCES2CES1
Acetic Acid Butyl Ester SCHEMBL7070991 0.87 ALDH1A1 (0.90) ALDH1A1DGKAATMTSHRNAAA
Nonane SCHEMBL27679811 0.87 ALDH1A1 (0.90) ALDH1A1DGKAATMTSHRNAAA
Acetic Acid Pentyl Ester SCHEMBL4585817 0.87 ALDH1A1 (0.90) ALDH1A1ATMTSHRNAAACES2
Decane SCHEMBL15441024 0.87 ALDH1A1 (0.90) ALDH1A1DGKAATMTSHRNAAA
Octane SCHEMBL8071050 0.87 ALDH1A1 (0.90) ALDH1A1DGKAATMTSHRNAAA
SCHEMBL6128478 0.87 ALDH1A1 (0.58) ALDH1A1TSHRNAAA
Acetic Acid Butyl Ester SCHEMBL28984633 0.87 ALDH1A1 (1.00) ALDH1A1ATMTSHRNAAAHPGD
Acetic Acid Butyl Ester SCHEMBL8026335 0.87 ALDH1A1 (1.00) ALDH1A1ATMTSHRNAAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104371484-B Coating composition and use its coating decoration method 关西涂料株式会社 2018-08-07 CN disclosed
US-7514197-B2 Resist and method of forming resist pattern NEC CORPORATION (JP) 2009-04-07 US disclosed
US-20060155021-A1 Coating compositions containing rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
US-20060127798-A1 Resist and method of forming resist pattern NEC CORPORATION (JP) 2006-06-15 US disclosed
EP-1541543-A1 RESIST AND METHOD OF FORMING RESIST PATTERN NEC Corporation (JP) 2005-06-15 EP disclosed
US-4803245-A POLYOL OR POLYEPOXIDE REACTED WITH PHENOL OR MERCAPTO CAPPING AGENT, THEN WITH POLYISOCYANATE ASHLAND OIL, INC. (US) 1989-02-07 US disclosed
US-4616071-A LOW-VISCOSITY HIGH-SOLIDS AUTOMOBILE PRIMERS FORD MOTOR COMPANY (US) 1986-10-07 US disclosed
US-4533695-A Non-aqueous dispersions based on capped stabilizers and reactants comprising polyfunctional monomers II FORD MOTOR COMPANY (US) 1985-08-06 US disclosed
US-4515926-A Coating composition comprising bis-diene oligomers and bis-dieneophile oligomers FORD MOTOR COMPANY (US) 1985-05-07 US disclosed