SCHEMBL3022385

SCHEMBL3022385

O=P(CCCO)(CCCO)CCCCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TYMS P04818 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR2 Q9HBW0 1/20 0.31
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
SCHEMBL1085744 0.97 TYMS (0.35) GPR84FFAR1FFAR4TYMSSMN1; SMN2
SCHEMBL13010626 0.94 GPR84 (0.39) GPR84FFAR1FFAR4TYMSSMN1; SMN2
SCHEMBL1085718 0.94 GPR84 (0.39) GPR84FFAR1FFAR4TYMSSMN1; SMN2
SCHEMBL1086123 0.94 GPR84 (0.39) GPR84FFAR1FFAR4TYMSSMN1; SMN2
SCHEMBL1085822 0.94 TYMS (0.37) GPR84FFAR1FFAR4TYMSSMN1; SMN2
Water SCHEMBL11146050 0.90 TYMS (0.35) TYMSALDH1A1TSHRCAMK2A
SCHEMBL3014053 0.88 PPARD (0.35) TYMSCAMK2A
SCHEMBL14321420 0.82 LPAR3 (0.56) SMN1; SMN2TRPM8LMNAALDH1A1HSD17B10
SCHEMBL3017008 0.81 TYMS (0.33) TYMSCAMK2A
SCHEMBL11420819 0.81 TSHR (0.43) GPR84FFAR1FFAR4TYMSLMNA

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