Octyl Acetate

Octyl Acetate

SCHEMBL9751176

CCCCCCCCOC(C)=O.CCOCC.N

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
TSHR P16473 4/20 0.57
NAAA Q02083 1/20 0.53
CES2 O00748 1/20 0.52
EPHX1 P07099 1/20 0.50
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 3/20 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
Nonylacetate SCHEMBL11175810 1.00 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Decylacetate SCHEMBL9751276 1.00 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Tridecylacetate SCHEMBL9751126 1.00 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Decylacetate SCHEMBL3426391 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tridecylacetate SCHEMBL2400935 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Ether SCHEMBL4931894 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Dodecylacetate SCHEMBL353028 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tetradecylacetate SCHEMBL537712 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Acetic Acid Hexadecyl Ester SCHEMBL2863328 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Hexyl Acetate SCHEMBL7690856 0.98 ALDH1A1 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047120-A Method for manufacture of lightweight frothed mineral wool panel USG INTERIORS, INC. (US) 1991-09-10 US disclosed
EP-0297132-A4 METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL 1991-08-28 EP disclosed
EP-0297132-A1 METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL USG INTERIORS, Inc. (US) 1989-01-04 EP disclosed
WO-1988005100-A1 METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL USG INTERIORS, INC. (US) 1988-07-14 WO disclosed