Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL896475

C=C.CCCOC(C)=O.CCOCC.OCCO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.41
CHRM1 P11229 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38

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 Propyl Ester SCHEMBL133511 0.96 ALDH1A1 (0.61) ALDH1A1TSHRLMNAHSD17B10THRB
Ether SCHEMBL10597888 0.92 ALDH1A1 (0.68) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL220171 0.91 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL487417 0.91 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL4450845 0.91 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL20210830 0.91 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL17255103 0.90 ALDH1A1 (0.55) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Propyl Ester SCHEMBL262663 0.89 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Butyl Ester SCHEMBL99360 0.89 ALDH1A1 (0.67) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid Butyl Ester SCHEMBL11586521 0.89 ALDH1A1 (0.67) ALDH1A1TSHRLMNAHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563214-B2 Radiation sensitive resin composition and method of forming an interlayer insulating film SHARP CORPORATION (JP) 2013-10-22 US disclosed
US-20120270151-A1 RADIATION SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING AN INTERLAYER INSULATING FILM JSR CORPORATION (JP) 2012-10-25 US disclosed
US-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed
US-20090026425-A1 COMPOSITION COMPRISING POLYESTER AMIDE ACID AND THE LIKE AND INK-JET INK COMPOSITION USING THE SAME CHISSO CORPORATION (JP) 2009-01-29 US disclosed
EP-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
EP-0718666-B1 Liquid crystal-aligning agent JSR CORP (JP) 2003-03-26 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
US-5698135-A POLYAMIC ACID OBTAINED FROM REACTION OF DIANHYDRIDE OF SPECIFIED TETRACARBOXYLIC ACID AND OF CYCLOBUTANETETRACARBOXYLIC ACID WITH DIAMINE, OR POLYMER OBTAINED BY IMIDIZING SAID POLYAMIC ACID JAPAN SYNTHETIC RUBBER CO., LTD., A JAPANESE CORPORATION (JP) 1997-12-16 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed
EP-0718666-A1 Liquid crystal-aligning agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-06-26 EP disclosed