SCHEMBL1498057

SCHEMBL1498057

CC(O)CCCCCCOC(=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NAAA Q02083 1/20 0.36
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 4/20 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
SCHEMBL536577 0.98 ALDH1A1 (0.36) MAPTALDH1A1NAAAEPHX1
SCHEMBL15512289 0.91 ALDH1A1 (0.37) MAPTALDH1A1CYP3A4
SCHEMBL27719291 0.88 BLM (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL28668624 0.88 BLM (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL15264 0.88 BLM (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL3008997 0.88 BLM (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL8371885 0.88 BLM (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL77528 0.87 NAAA (0.39) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL29164384 0.86 BLM (0.38) ALDH1A1NAAATSHRCYP3A4EPHX1
SCHEMBL27579861 0.86 BLM (0.38) ALDH1A1NAAATSHRCYP3A4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
EP-2480192-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2480193-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
WO-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2011036082-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed