SCHEMBL8134649

SCHEMBL8134649

CCCCCCCCN(CCCCCCCC)P(=O)(N(CCCCCCCC)CCCCCCCC)N(CCCCCCCC)CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.48
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
GGPS1 O95749 4/20 0.44
LPAR3 Q9UBY5 5/20 0.42
LPAR2 Q9HBW0 2/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.39
FDPS P14324 2/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
LPAR1 Q92633 2/20 0.38

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
SCHEMBL9246188 0.89 MMP1 (0.44) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10946036 0.83 DNM1 (0.43) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL27673962 0.80 DNM1 (0.44) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10995960 0.80 S1PR2 (0.53) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL11360763 0.80 DNM1 (0.44) DNM1S1PR2S1PR1S1PR3S1PR5
Methane SCHEMBL11500817 0.78 S1PR2 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL11356909 0.77 S1PR2 (0.41) DNM1S1PR2S1PR1S1PR3S1PR5
Heptane SCHEMBL29139007 0.72 TSHR (0.47) DNM1S1PR2S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL23045202 0.72 S1PR2 (0.55) DNM1S1PR2S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL31190165 0.70 S1PR2 (0.77) DNM1S1PR2S1PR1S1PR3S1PR5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857083-B1 METHOD OF SEPARATING OLIGOMERIC SIDE-PRODUCTS FROM AN ISOMERIZATION CATALYST BASF AG (DE) 2000-06-14 EP disclosed
EP-0601609-B1 Inhibiting coke-formation with phosphoric triamide NALCO CHEMICAL CO (US) 1999-01-27 EP disclosed
EP-0857083-A1 METHOD OF SEPARATING OLIGOMERIC SIDE-PRODUCTS FROM AN ISOMERIZATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015392-A1 METHOD OF SEPARATING OLIGOMERIC SIDE-PRODUCTS FROM AN ISOMERIZATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
US-5360531-A Corrosion resistance; by-product inhibition; heat exchangers NALCO CHEMICAL COMPANY (US) 1994-11-01 US disclosed
EP-0601609-A1 Phosphoric triamide coking inhibitors NALCO CHEMICAL COMPANY (US) 1994-06-15 EP disclosed
US-4221887-A IMPROVED RHEOLOGICAL PROPERTIES EXXON RESEARCH & ENGINEERING CO. (US) 1980-09-09 US disclosed