SCHEMBL3014053

SCHEMBL3014053

O=P(CCO)(CCCO)CCCO

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.35
TYMS P04818 1/20 0.33
GAA P10253 1/20 0.32
CAMK2A Q9UQM7 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
SCHEMBL1085822 0.94 TYMS (0.37) PPARDTYMSCAMK2A
Water SCHEMBL11146050 0.90 TYMS (0.35) PPARDTYMSCAMK2A
SCHEMBL3022385 0.88 GPR84 (0.33) TYMSCAMK2A
SCHEMBL1085723 0.87 PPARD (0.41) PPARDTYMSGAA
SCHEMBL1085744 0.84 TYMS (0.35) PPARDTYMSCAMK2A
SCHEMBL3017008 0.81 TYMS (0.33) TYMSCAMK2A
SCHEMBL1086123 0.81 GPR84 (0.39) TYMSCAMK2A
SCHEMBL13010626 0.81 GPR84 (0.39) TYMSCAMK2A
SCHEMBL1085718 0.81 GPR84 (0.39) TYMSCAMK2A
SCHEMBL25355856 0.80 GABBR2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344096-B2 Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane UBE INDUSTRIES, LTD. (JP) 2013-01-01 US disclosed
US-20100197887-A1 PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE UBE INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed