Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL3182016

CCCCOC(C)=O.Cc1ccc(C)cc1.Cc1ccc(C)cc1

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
TSHR P16473 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 5/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ESR1 P03372 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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 SCHEMBL1527432 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL8056744 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL9336718 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL451540 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL11076273 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL9418066 1.00 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Pentyl Ester SCHEMBL7772491 0.94 ALDH1A1 (0.63) ALDH1A1TSHRTDP1L3MBTL1LMNA
Hexyl Acetate SCHEMBL8084256 0.92 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1LMNAESR1
Acetic Acid Butyl Ester SCHEMBL20540736 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL9577010 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732112-B2 Electrophotographic imaging member undercoat layers XEROX CORPORATION (US) 2010-06-08 US disclosed
US-7670735-B2 Phosphoric acid ester containing photoconductors XEROX CORPORATION (US) 2010-03-02 US disclosed
US-7662527-B2 Silanol containing photoconductor XEROX CORPORATION (US) 2010-02-16 US disclosed
US-7622230-B2 Phosphate ester containing photoconductors XEROX CORPORATION (US) 2009-11-24 US disclosed
US-7575838-B2 Imaging members and method for sensitizing a charge generation layer of an imaging member XEROX CORPORATION (US) 2009-08-18 US disclosed
US-7498109-B2 Electrophotographic imaging member undercoat layers XEROX CORPORATION (US) 2009-03-03 US disclosed
US-7476477-B2 Thiophosphate containing photoconductors XEROX CORPORATION (US) 2009-01-13 US disclosed
US-20080032216-A1 Phosphate ester containing photoconductors XEROX CORPORATION 2008-02-07 US disclosed
US-20080032218-A1 Silanol containing photoconductor XEROX CORPORATION 2008-02-07 US disclosed
US-20080032217-A1 Phosphoric acid ester containing photoconductors XEROX CORPORATION 2008-02-07 US disclosed
US-20080008950-A1 Electrophotographic imaging member undercoat layers XEROX CORPORATION 2008-01-10 US disclosed
US-20080008951-A1 Imaging members and method for sensitizing a charge generation layer of an imaging member XEROX CORPORATION 2008-01-10 US disclosed
US-20080008947-A1 High quality developed images or prints, excellent lifetimes and thicker layers which permit excellent resistance to charge deficient spots, or undesirable plywooding, and also increases the layer coating robustness, and wherein honing of the supporting substrates may be eliminated XEROX CORPORATION 2008-01-10 US disclosed
US-20080008948-A1 Imaging members and method for sensitizing a charge generation layer of an imaging member XEROX CORPORATION 2008-01-10 US disclosed
EP-1876496-A2 Imaging members and method for sensitizing a charge generation layer of an imaging member Xerox Corporation (US) 2008-01-09 EP disclosed
US-20070292786-A1 Thiophosphate containing photoconductors XEROX CORPORATION 2007-12-20 US disclosed