Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL9081007

CCCCCOC(=O)CC.CCCCOC(C)=O

nearest known ligand 0.77

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.77
ALDH1A1 P00352 1/20 0.72
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.49
TSHR P16473 3/20 0.48
DGKA P23743 1/20 0.48
HTT P42858 1/20 0.47
HTR2C P28335 1/20 0.47
EPHX1 P07099 1/20 0.46
ATM Q13315 1/20 0.45
DNM1 Q05193 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CES2 O00748 1/20 0.42
HPGD P15428 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 Pentyl Ester SCHEMBL21828458 1.00 NAAA (0.77) NAAAALDH1A1RAD52NPSR1FAAH
Hexyl Acetate SCHEMBL27910160 0.98 NAAA (0.81) NAAAALDH1A1RAD52NPSR1FAAH
Acetic Acid Butyl Ester SCHEMBL21815463 0.96 ALDH1A1 (0.78) NAAAALDH1A1RAD52NPSR1FAAH
Acetic Acid Butyl Ester SCHEMBL28048454 0.92 ALDH1A1 (0.72) NAAAALDH1A1RAD52NPSR1FAAH
SCHEMBL15987915 0.92 NAAA (0.91) NAAAALDH1A1RAD52NPSR1FAAH
SCHEMBL11149840 0.92 NAAA (0.68) NAAAALDH1A1RAD52NPSR1FAAH
Acetic Acid Butyl Ester SCHEMBL28100215 0.91 ALDH1A1 (0.64) NAAAALDH1A1RAD52NPSR1FAAH
SCHEMBL20847 0.89 NAAA (0.95) NAAAALDH1A1RAD52NPSR1FAAH
Acetic Acid Pentyl Ester SCHEMBL4585817 0.89 ALDH1A1 (0.90) NAAAALDH1A1RAD52NPSR1FAAH
Acetic Acid Butyl Ester SCHEMBL9615786 0.88 ALDH1A1 (0.72) NAAAALDH1A1TSHRDGKAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5509959-A LIQUID MIXTURE OF SOLIDS FRACTION CONTAINING POLYMERIC COMPOUND CAPABLE OF FORMING COATING ON SUBSTRATE, SOLVENT FRACTION HAVING SPECIFIED DISTRIBUTION AND EVAPORATION RATE; HAVING SPECIFIED VISCOSITY, SOLUBILITY IN SUPERCRITICAL FLUID UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-04-23 US disclosed
EP-0388923-B1 PRECURSOR COATING COMPOSITIONS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-07-21 EP disclosed
US-5212229-A MONODISPERSED ACRYLIC POLYMERS IN SUPERCRITICAL, NEAR SUPERCRITICAL AND SUBCRITICAL FLUIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-18 US disclosed
EP-0506067-A1 Monodispersed thermoplastic acrylic polymers in supercritical fluids UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-09-30 EP disclosed
WO-1990011333-A1 PRECURSOR COATING COMPOSITIONS SUITABLE FOR SPRAYING WITH SUPERCRITICAL FLUIDS AS DILUENTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-10-04 WO disclosed
EP-0388923-A1 Precursor coating compositions UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1990-09-26 EP disclosed