SCHEMBL5266593

SCHEMBL5266593

O=P(O)(O)OP(=O)(O)OCC(CO)(CO)COc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BTN3A1 O00481 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SRC P12931 1/20 0.39
GGPS1 O95749 1/20 0.38
S1PR1 P21453 3/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
FDPS P14324 2/20 0.35
S1PR3 Q99500 2/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
ALOX15 P16050 1/20 0.34

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
Pyrophosphoric Acid SCHEMBL5266595 0.86 CYP2C9 (0.49) CYP2C9CYP2C19ALDH1A1SRCGGPS1
SCHEMBL10901058 0.79 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1PKMRECQL
SCHEMBL134477 0.78 BTN3A1 (0.43) BTN3A1FDPSFNTAFNTB
SCHEMBL13506563 0.78 BTN3A1 (0.33) BTN3A1ALDH1A1
SCHEMBL11884159 0.77 ALDH1A1 (0.60) CYP2C9CYP2C19BTN3A1ALDH1A1SRC
SCHEMBL5266589 0.77 SRC (0.53) CYP2C9CYP2C19BTN3A1ALDH1A1SRC
Hydrochloric Acid SCHEMBL23466836 0.76 BTN3A1 (0.42) BTN3A1FDPSFNTAFNTB
SCHEMBL26145475 0.76 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1PKMRECQL
SCHEMBL28176043 0.75 PKM (0.59) CYP2C9CYP2C19BTN3A1ALDH1A1SRC
SCHEMBL9416489 0.75 BTN3A1 (0.39) BTN3A1FDPSFNTAFNTB

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-1262519-B1 FLAME-RETARDANT RESIN COMPOSITION AND MOLDED ARTICLE OBTAINED THEREFROM TEIJIN CHEMICALS LTD (JP) 2007-10-17 EP disclosed
US-7169837-B2 Flame-resistant resin composition and article molded therefrom TEIJIN CHEMICALS, LTD. (JP) 2007-01-30 US disclosed
US-20040132876-A1 Flame-resistant resin composition and article molded therefrom TEIJIN CHEMICALS LTD. (JP) 2004-07-08 US disclosed
EP-1262519-A1 FLAME-RETARDANT RESIN COMPOSITION AND MOLDED ARTICLE OBTAINED THEREFROM Teijin Chemicals, Ltd. (JP) 2002-12-04 EP disclosed