SCHEMBL534490

SCHEMBL534490

O=C(O)C(O)CC(CO)(CO)CCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.42
TET2 Q6N021 6/20 0.38
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
TET3 O43151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
TET1 Q8NFU7 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
SCHEMBL537212 0.77 OR51E2 (0.41) OR51E2TET2KDM4AKDM4CKDM2A
SCHEMBL28011684 0.72 OR51E2 (0.74) OR51E2TET2KDM4AKDM4CKDM2A
SCHEMBL28778996 0.70 OR51E2 (0.48) OR51E2TET2KDM4AKDM4CKDM2A
SCHEMBL533274 0.70 OR51E2 (0.48) OR51E2TET2KDM4AKDM4CKDM2A
Malic Acid SCHEMBL11490118 0.68 SMN1; SMN2 (0.71) OR51E2TET2KDM4AKDM4CKDM2A
SCHEMBL31674430 0.68 OR51E2 (0.46) OR51E2TET2KDM4AKDM4CKDM2A
SCHEMBL424600 0.68
SCHEMBL3351656 0.68
SCHEMBL6834691 0.68
SCHEMBL12191378 0.66 TSHR (0.41)

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 6 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-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed