SCHEMBL5010313

SCHEMBL5010313

O=P(OCN(CCO)CCO)(OCN(CCO)CCO)OCN(CCO)CCO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
PPARD Q03181 1/20 0.30

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
SCHEMBL2540679 0.89 TSHR (0.52) TSHRPPARD
SCHEMBL5010316 0.83 TPI1 (0.32) KDM4EMAPTALOX15SMN1; SMN2PPARD
SCHEMBL7065842 0.76
SCHEMBL2013143 0.73 TSHR (0.56) TSHRPPARD
Trolamine SCHEMBL8884366 0.69 MAPT (0.39) KDM4EMAPTALOX15SMN1; SMN2
Trolamine SCHEMBL27412368 0.69 MAPT (0.39) KDM4EMAPTALOX15SMN1; SMN2
Trolamine SCHEMBL5874691 0.69 MAPT (0.39) KDM4EMAPTALOX15SMN1; SMN2
Trolamine SCHEMBL318178 0.69 MAPT (0.39) KDM4EMAPTALOX15SMN1; SMN2
Trolamine SCHEMBL7796775 0.69 MAPT (0.39) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL15263597 0.69 ALDH1A1 (0.43) TSHR

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
EP-1910507-A2 WAX EMULSIONS FOR LINGNOCELLULOSIC PRODUCTS, METHODS OF THEIR MANUFACTURE AND PRODUCTS FORMED THEREFROM Hexion Specialty Chemicals Research Belgium S.A. (BE) 2008-04-16 EP disclosed
WO-2007005350-A2 WAX FORMULATIONS FOR LIGNOCELLULOSIC PRODUCTS, METHODS OF THEIR MANUFACTURE AND PRODUCTS FORMED THEREFROM HEXION SPECIALTY CHEMICALS INC. (US) 2007-01-11 WO disclosed
EP-1628930-A1 GYPSUM PRODUCTS AND METHOD FOR THEIR MANUFACTURE Hexion Specialty Chemicals, Inc. (US) 2006-03-01 EP disclosed
WO-2004108625-A1 GYPSUM PRODUCTS AND METHOD FOR THEIR MANUFACTURE BORDEN CHEMICAL, INC. (US) 2004-12-16 WO disclosed