SCHEMBL536618

SCHEMBL536618

CC(O)COC(C)COC(=O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.36
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL536926 0.98 TDP1 (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL1534154 0.85 TDP1 (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL24414506 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL24414470 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL447235 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL24414494 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL24414476 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL24414542 0.84 MAPT (0.47) TDP1MAPTTSHRMAPK1HSD17B10
SCHEMBL6440366 0.83 TDP1 (0.33) TDP1TSHR
SCHEMBL537244 0.83 TDP1 (0.33) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP claimed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO claimed
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-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
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-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 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
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed