Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL9788282

CCCCOC(C)=O.COC

nearest known ligand 0.90

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.90
ATM Q13315 1/20 0.54
TSHR P16473 6/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
NAAA Q02083 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44

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 SCHEMBL28984633 0.95 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL28960923 0.95 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL14969 0.95
Acetic Acid Butyl Ester SCHEMBL8026335 0.95 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL1350194 0.95
Acetic Acid Butyl Ester SCHEMBL986199 0.93 ALDH1A1 (0.86) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL25225804 0.92
Acetic Acid Butyl Ester SCHEMBL10649187 0.92
Acetic Acid Butyl Ester SCHEMBL9555412 0.92 ALDH1A1 (0.95) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL10618702 0.92 ALDH1A1 (0.95) ALDH1A1ATMTSHRHPGDLMNA

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
CN-105931932-B A kind of preparation method for nitrogenizing aluminum insulation layer cathode heater 北京科技大学 2017-11-17 CN claimed
CN-105931932-A Preparation method of aluminum nitride insulation layer cathode hot wire 北京科技大学 2016-09-07 CN claimed
CN-105931932-B A kind of preparation method for nitrogenizing aluminum insulation layer cathode heater 北京科技大学 2017-11-17 CN disclosed
CN-105931932-A Preparation method of aluminum nitride insulation layer cathode hot wire 北京科技大学 2016-09-07 CN disclosed
CN-103450500-A Novel organic ultraviolet light absorbent and preparation method thereof CAO JIANLIN 2013-12-18 CN disclosed
US-5066561-A Increased photospeed; resolution; contrast; adhesion; integrated circuits HOECHST CELANESE CORPORATION (US) 1991-11-19 US disclosed