SCHEMBL535624

SCHEMBL535624

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.37
PGD P52209 2/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.31
TP53 P04637 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
SCHEMBL1498062 0.98 TDP1 (0.42) TDP1TSHRPGDMAPTHTT
SCHEMBL2953433 0.89 TSHR (0.37) TDP1TSHRPGDHTTTP53
SCHEMBL7773088 0.86 TSHR (0.46) TSHRPGDMAPTHTTTP53
SCHEMBL536566 0.86 TSHR (0.34) TDP1TSHRPGD
SCHEMBL2964507 0.86 TSHR (0.34) TDP1TSHRPGD
SCHEMBL2963069 0.84 TSHR (0.33) TSHRPGDHTT
SCHEMBL2962967 0.83 TDP1 (0.42) TDP1TSHRPGD
SCHEMBL30616867 0.82 TSHR (0.46) TSHRPGDHTTTP53
SCHEMBL3979993 0.82 TSHR (0.46) TSHRPGDHTTTP53
Cadaverine Tartrate SCHEMBL536929 0.81 TDP1 (0.43) TDP1TSHRPGDTP53

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 11 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-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
US-4675177-A ALUMINUM-ZIRCONIUM SALTS, LACTATE ESTERS OF LOWER ALKANOLS AMERICAN CYANAMID COMPANY (US) 1987-06-23 US disclosed