SCHEMBL468862

SCHEMBL468862

CCCCCOC(=O)COC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
NAAA Q02083 1/20 0.61
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 3/20 0.50
FAAH O00519 2/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
CES2 O00748 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
EPHX1 P07099 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL22721948 0.98 NAAA (0.64) ALDH1A1NAAARAD52NPSR1TSHR
SCHEMBL6658249 0.94 ALDH1A1 (0.71) ALDH1A1NAAARAD52NPSR1TSHR
SCHEMBL9889443 0.92 ALDH1A1 (0.68) ALDH1A1NAAARAD52NPSR1TSHR
SCHEMBL27843187 0.88 FAAH (0.60) ALDH1A1NAAAFAAH
SCHEMBL28128287 0.86 FAAH (0.54) ALDH1A1NAAAFAAH
Acetic Acid Pentyl Ester SCHEMBL27928183 0.85 ALDH1A1 (0.77) ALDH1A1NAAARAD52NPSR1TSHR
SCHEMBL12972011 0.85 ALDH1A1 (0.50) ALDH1A1NAAATSHRFAAHDGKA
Acetic Acid Pentyl Ester SCHEMBL8583803 0.84 ALDH1A1 (0.85) ALDH1A1NAAARAD52NPSR1TSHR
Acetic Acid Pentyl Ester SCHEMBL10663 0.84
SCHEMBL18668787 0.83 ALDH1A1 (0.45) ALDH1A1NAAARAD52NPSR1TSHR

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054479-A FOR FOOD, COSMETICS, DRUGS; ADDING ARYL ACETOXYACETIC ACID TRISTRATA, INC. (A DELAWARE CORPORATION) (US) 2000-04-25 US claimed
US-6046238-A TOPICALLY APPLYING TO AN AFFECTED AREA OF SKIN AN EFFECTIVE AMOUNT OF ARYL 2-ACETOXYETHANOIC ACID, EFFECTIVE TO REMOVE OR PREVENT THE SPREAD OF ACNE VULGARIS TRISTRATA, INC. (US) 2000-04-04 US claimed
US-5958975-A REVERSING OR PREVENTING TACHYPHYLAXIS OF PSORIASIS TO A CORTICOSTEROID; APPLYING TO PSORIATIC SKIN A CORTICOSTEROID AND AN ARYL 2-ACETOXY-ETHANOIC ACID; COSMETICS; FOODS TRISTRATA, INC. (US) 1999-09-28 US claimed
US-5874071-A USING AN ARYL 2-ACETOXYETHANOIC ACID; DEODERANTS; ANTIPRESPIRANTS; PREVENTION OF ODORS ASSOCIATED WITH FOOT, SCALP, SKIN, NAILS AND FOLLICULR INFECTIONS; PROPIONIBACTERIUM ACNES; FOODS; COSMETICS; DRUGS TRISTRATA, INC. (US) 1999-02-23 US claimed
US-5807890-A USING ARYL 2-ACETOXYETHANOIC ACID TRISTRATA, INC. (US) 1998-09-15 US claimed
EP-0789553-A4 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA INC (US) 1998-05-06 EP claimed
EP-0789553-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME Tristrata, Inc. (US) 1997-08-20 EP claimed
US-5641475-A INCLUDES ARYL 2-ACETOXYETHANOIC ACID AS SYNERGIST OR AMPLIFIER TRISTRATA, INC. (US) 1997-06-24 US claimed
WO-1996013247-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA, INC. (US) 1996-05-09 WO claimed
CN-113736340-A Anticorrosive paint and preparation method and equipment thereof 中星防腐工程技术(广东)有限公司 2021-12-03 CN disclosed
EP-2311452-B2 Topical composition comprising n-acetyl glucosamine YU RUEY J (US) 2020-12-30 EP disclosed
EP-2311452-B9 Topical composition comprising n-acetyl glucosamine YU RUEY J (US) 2014-12-24 EP disclosed
US-RE44302-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-06-18 US disclosed
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US disclosed
EP-0789553-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME Tristrata, Inc. (US) 1997-08-20 EP disclosed
EP-0789553-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME Tristrata, Inc. (US) 1997-08-20 EP disclosed
US-5641475-A INCLUDES ARYL 2-ACETOXYETHANOIC ACID AS SYNERGIST OR AMPLIFIER TRISTRATA, INC. (US) 1997-06-24 US disclosed
US-5641475-A INCLUDES ARYL 2-ACETOXYETHANOIC ACID AS SYNERGIST OR AMPLIFIER TRISTRATA, INC. (US) 1997-06-24 US disclosed
WO-1996013247-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA, INC. (US) 1996-05-09 WO disclosed
WO-1996013247-A1 ANTIODOR, ANTIMICROBIAL AND PRESERVATIVE COMPOSITIONS AND METHODS OF USING SAME TRISTRATA, INC. (US) 1996-05-09 WO disclosed