Acetic Acid Hexadecyl Ester

Acetic Acid Hexadecyl Ester

SCHEMBL2863328

CCCCCCCCCCCCCCCCOC(C)=O.CCOCC

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 4/20 0.59
NAAA Q02083 1/20 0.55
CES2 O00748 1/20 0.53
EPHX1 P07099 1/20 0.52
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 2/20 0.46
ACHE P22303 3/20 0.46

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
Octyl Acetate SCHEMBL4930248 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Decylacetate SCHEMBL3426391 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Hexyl Acetate SCHEMBL7690856 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tetradecylacetate SCHEMBL537712 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tridecylacetate SCHEMBL2400935 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Ether SCHEMBL4931894 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Dodecylacetate SCHEMBL353028 1.00 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Octyl Acetate SCHEMBL9751176 0.98 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Decylacetate SCHEMBL22091864 0.98 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Dodecylacetate SCHEMBL515330 0.98 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443951-B1 SUPERFATTING AGENT AND PERSONAL CARE COMPOSITION SABO SPA (IT) 2022-09-21 EP disclosed
CN-108883049-B Superfatting agents and personal care compositions 萨博公司 2021-03-12 CN disclosed
EP-3443951-A1 SUPERFATTING AGENT AND PERSONAL CARE COMPOSITION Sabo S.p.A. (IT) 2019-02-20 EP disclosed
EP-1799631-B1 HYDROXYCITRIC ACID DERIVATIVES AND SKIN EXTERNAL PREPARATIONS CONTAINING THE SAME SHOWA DENKO KK (JP) 2017-01-25 EP disclosed
EP-2642975-B1 SKIN EXTERNAL PREPARATION AND METHOD OF PRODUCING SAME SHOWA DENKO KK (JP) 2016-08-24 EP disclosed
EP-2248511-B1 HAIR WASHING COMPOSITION KAO CORP (JP) 2015-11-25 EP disclosed
US-9180079-B2 Skin external preparation and method of producing same SHOWA DENKO K.K. (JP) 2015-11-10 US disclosed
US-8741825-B2 Hair washing composition KAO CORPORATION (JP) 2014-06-03 US disclosed
EP-1928402-B1 Carnitine derivative, salt thereof, external skin preparation and cosmetic preparation SHOWA DENKO KK (JP) 2014-03-12 EP disclosed
US-20130287718-A1 SKIN EXTERNAL PREPARATION AND METHOD OF PRODUCING SAME SHOWA DENKO K.K. (JP) 2013-10-31 US disclosed
WO-2005102267-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING TOCOPHEROL DERIVATIVE, ASCORBIC ACID DERIVATIVE AND SURFACE ACTIVE AGENT HAVING LIPOPEPTIDE STRUCTURE SHOWA DENKO K.K. (JP) 2005-11-03 WO disclosed
WO-2005094777-A1 EXTERNAL PREPARATION FOR SKIN SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
WO-2005095462-A1 MOISTURE RETENTION POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
US-20050220744-A1 Polysaccharide/functional compound complex SHOWA DENKO K.K. 2005-10-06 US disclosed
WO-2005092285-A1 A SKIN CARE AND COSMETIC PREPARATION CONTAINING AN INOSITOL DERIVATIVE SHOWA DENKO K.K. (JP) 2005-10-06 WO disclosed
WO-2005089708-A1 OIL-IN-WATER EMULSIFIED COMPOSITION, AND EXTERNAL PREPARATION FOR SKIN AND COSMETICS USING THE COMPOSITION SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed
WO-2005074881-A2 METHOD FOR STABILIZING OIL-BASED THICKENING GEL COMPOSITION SHOWA DENKO K.K. (JP) 2005-08-18 WO disclosed
WO-2005034903-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING SALT OF ASCORBIC ACID DERIVATIVE, METHOD FOR STABILIZING THE AGENT FOR SKIN EXTERNAL USE, AND STABILIZER SHOWA DENKO K.K. (JP) 2005-04-21 WO disclosed
WO-2005020950-A1 COSMETIC COMPOSITION COMPRISING A AND A LIPOPEPTIDE SHOWA DENKO K.K. (JP) 2005-03-10 WO disclosed
US-20040210077-A1 Monocarboxylic acid esters of propoxylated fatty alcohols as pigment dispersants CRODA, INC. 2004-10-21 US 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 (2 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-20130287718-A1 SKIN EXTERNAL PREPARATION AND METHOD OF PRODUCING SAME RBP4, RBP1, PROC ALDH1A1 643/4885TSHR 4481/4885NAAA 2191/4885
US-20040210077-A1 Monocarboxylic acid esters of propoxylated fatty alcohols as pigment dispersants MITF, ELOVL5, ADH5 ALDH1A1 108/4885TSHR 4215/4885NAAA 3727/4885

“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.