Allyl Butanoate

Allyl Butanoate

SCHEMBL4955044

C1CCCCC1.C=CCOC(=O)CCC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 6/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
DGKA P23743 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NLRP3 Q96P20 1/20 0.33

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
Allyl Butanoate SCHEMBL16372404 0.94 TSHR (0.71) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL263508 0.94
Allyl Butanoate SCHEMBL28209182 0.92 TSHR (0.69) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL28052527 0.88 TSHR (0.65) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL8469685 0.88 TSHR (0.65) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL28805970 0.86 TSHR (0.62) TSHRALDH1A1GAATDP1SMN1; SMN2
SCHEMBL22436210 0.86 TSHR (0.62) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL28165555 0.86 TSHR (0.62) TSHRALDH1A1GAATDP1SMN1; SMN2
Allyl Butanoate SCHEMBL10336629 0.86 TSHR (0.62) TSHRALDH1A1GAATDP1SMN1; SMN2
Cyclohexane SCHEMBL393519 0.83 TSHR (0.53) TSHRALDH1A1GAATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101760317-A Pineapple flavor essence XINGUANG LIU 2010-06-30 CN claimed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US claimed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
CN-106929370-A Alcoholic beverage emulsification flavor compositions 高砂香料工业株式会社 2017-07-07 CN disclosed
CN-103582627-A Allyl ether-terminated fluoroalkyl sulfinic acids and salts thereof 3M INNOVATIVE PROPERTIES CO 2014-02-12 CN disclosed
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN disclosed
CN-101405034-B Liquid deodorant composition and method of deodorization TAKASAGO PERFUMERY CO LTD 2013-03-20 CN disclosed
CN-101760317-A Pineapple flavor essence XINGUANG LIU 2010-06-30 CN disclosed
CN-1874693-B Food products containing a fruit component TAKASAGO PERFUMERY CO LTD 2010-05-05 CN disclosed
CN-101405034-A Liquid deodorant composition and method of deodorization TAKASAGO PERFUMERY CO LTD (JP) 2009-04-08 CN disclosed
EP-1383547-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2004-01-28 EP disclosed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US disclosed
US-20030024997-A1 Air freshening compositions, articles comprising same and methods THE PROCTER & GAMBLE COMPANY 2003-02-06 US disclosed
US-20030013632-A1 Dryer-added fabric softening articles and methods THE PROCTER & GAMBLE COMPANY 2003-01-16 US disclosed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090480-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002089862-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030024997-A1 Air freshening compositions, articles comprising same and methods PIEZO1, TMEM63A, KIT TSHR 4670/4885ALDH1A1 4356/4885GAA 2185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.