SCHEMBL5010316

SCHEMBL5010316

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 2/20 0.32
PPARD Q03181 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
FBP1 P09467 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
SCHEMBL5010313 0.83 KDM4E (0.32) PPARDKDM4EMAPTALOX15SMN1; SMN2
SCHEMBL1368442 0.82 TPI1 (0.39) TPI1LPAR3LPAR1LPAR2PGK1
SCHEMBL2802305 0.79 LPAR3 (0.39) TPI1PPARDLPAR3LPAR1LPAR2
SCHEMBL16011643 0.79 LPAR3 (0.39) TPI1PPARDLPAR3LPAR1LPAR2
Trolamine SCHEMBL9232394 0.77 PPARD (0.48) PPARDLPAR3LPAR1LPAR2
SCHEMBL1462880 0.77 LPAR3 (0.38) TPI1PPARDLPAR3LPAR1LPAR2
SCHEMBL2013143 0.76 TSHR (0.56) PPARD
Trolamine SCHEMBL2869748 0.75 FDPS (0.53) PPARDKDM4EMAPTALOX15SMN1; SMN2
SCHEMBL7065842 0.74
SCHEMBL2540679 0.74 TSHR (0.52) PPARD

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-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
US-4226907-A (HYDROXYALKYL)AMINOALKYLPHOSPHONIC ACID, METHYLOLMELAMINE, WATER VELSICOL CHEMICAL CORPORATION (US) 1980-10-07 US disclosed
US-4201593-A HYDROXYALKYLAMINOALKYLAMINOALKYLPHOSPHONIC ACID, METHYLOL-MELAMINE, FIREPROOFING WOOD VELSICOL CHEMICAL CORPORATION (US) 1980-05-06 US disclosed