Allyl Hexanoate

Allyl Hexanoate

SCHEMBL1869217

C=CCOC(=O)CCCCC.C=CCOC(=O)CCCCC

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.96
DGKA P23743 1/20 0.59
PAM P19021 2/20 0.53
LMNA P02545 4/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.49
DNM1 Q05193 1/20 0.49
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
FAAH O00519 1/20 0.46
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 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
Allyl Hexanoate SCHEMBL21086 1.00 TSHR (0.96) TSHRDGKAPAMLMNAMAPT
SCHEMBL440501 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
SCHEMBL3503097 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
SCHEMBL435885 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
Allyl Decanoate SCHEMBL436741 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
SCHEMBL439396 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
Allyl Heptanoate SCHEMBL20820 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
Allyl Octanoate SCHEMBL126629 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
Allyl Heptanoate SCHEMBL4147097 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT
SCHEMBL19133353 0.98 TSHR (1.00) TSHRDGKAPAMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051340-A1 TRPM8 MODULATORS AND RELATED METHOD FOR MODULATING TRPM8 RECEPTORS SYMRISE AG (DE) 2025-03-13 WO disclosed
CN-108289822-A Beta-cyclodextrin-based metal organic frame containing aromatic 帕那刻亚纳诺有限公司 2018-07-17 CN disclosed
WO-2012142059-A2 PARTICLES COMPRISING VOLATILE MATERIALS AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 2012-10-18 WO disclosed
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
EP-1654197-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES Degussa AG (DE) 2006-05-10 EP disclosed
WO-2005016823-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES DEGUSSA AG (DE) 2005-02-24 WO disclosed