Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL4628873

CCCCOC(C)=O.OCCCCO

nearest known ligand 0.82

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
ACHE P22303 6/20 0.52
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HCAR2 Q8TDS4 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 SCHEMBL28565593 0.98 ALDH1A1 (0.78) ALDH1A1ACHEATMSMN1; SMN2TSHR
Decanol SCHEMBL27694762 0.96 ALDH1A1 (0.75) ALDH1A1ACHEATMSMN1; SMN2TSHR
Undecanol SCHEMBL28625708 0.96 ALDH1A1 (0.75) ALDH1A1ACHEATMSMN1; SMN2TSHR
Acetic Acid Butyl Ester SCHEMBL10487153 0.95 ALDH1A1 (0.82) ALDH1A1ACHEATMSMN1; SMN2TSHR
Acetic Acid Butyl Ester SCHEMBL16007831 0.95 ALDH1A1 (0.82) ALDH1A1ACHEATMSMN1; SMN2TSHR
Acetic Acid Butyl Ester SCHEMBL1556184 0.95 ALDH1A1 (0.82) ALDH1A1ACHEATMSMN1; SMN2TSHR
Acetic Acid Pentyl Ester SCHEMBL9243110 0.93 ALDH1A1 (0.71) ALDH1A1ACHESMN1; SMN2TSHRLMNA
Acetic Acid Butyl Ester SCHEMBL10632010 0.93 ALDH1A1 (0.78) ALDH1A1ACHEATMTSHRHPGD
Acetic Acid Butyl Ester SCHEMBL125717 0.93 ALDH1A1 (0.86) ALDH1A1ACHEATMSMN1; SMN2TSHR
Acetic Acid Butyl Ester SCHEMBL117774 0.93 ALDH1A1 (0.86) ALDH1A1ACHEATMSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535976-B1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORP (JP) 2008-01-16 EP disclosed
EP-1535976-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR Corporation (JP) 2005-06-01 EP disclosed
US-20050112386-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORPORATION (JP) 2005-05-26 US disclosed