SCHEMBL4415096

SCHEMBL4415096

O=[PH](OCCCc1ccc(Br)cc1)OCCCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
HTR2A P28223 1/20 0.47
IDO1 P14902 5/20 0.36
HMOX1 P09601 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4413671 0.94 TAAR1 (0.45) TAAR1HTR2AIDO1HMOX1FFAR1
SCHEMBL4408254 0.88 TAAR1 (0.50) TAAR1HTR2AIDO1FFAR1FFAR4
SCHEMBL6788078 0.81 HTR2A (0.37) TAAR1HTR2AIDO1FFAR1
SCHEMBL4409079 0.81 IDO1 (0.35) IDO1
SCHEMBL28991973 0.80 TAAR1 (0.42) TAAR1HTR2AIDO1HMOX1FFAR1
SCHEMBL4410165 0.80 PTPRC (0.30)
SCHEMBL4406119 0.80 IDO1 (0.55) TAAR1HTR2AIDO1FFAR1MAOA
SCHEMBL28893555 0.77 TAAR1 (0.50) TAAR1HTR2AIDO1HMOX1
SCHEMBL4407153 0.76 IDO1 (0.34) IDO1
SCHEMBL10773558 0.76 TAAR1 (0.45) TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635748-B2 Resin and article molded therefrom TORAY INDUSTRIES, INC. (JP) 2009-12-22 US disclosed
EP-1270646-B1 RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM TORAY INDUSTRIES (JP) 2008-11-26 EP disclosed
US-20080139778-A1 Resin and article molded therefrom TAKANISHI KEIJIRO 2008-06-12 US disclosed
US-20060287464-A1 Resin and article molded therefrom TORAY INDUSTRIES, INC. (JP) 2006-12-21 US disclosed
EP-1640405-A1 RESIN AND ARTICLE MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2006-03-29 EP disclosed
US-6750313-B2 HIGH REFRACTIVE INDEX AND LOW DISPERSION CHARACTERISTICS; OPTICAL LENSES, FILMS, DISCS; POLYCARBONATE RESIN CONTAINING A PHOSPHONIC ACID GROUP TORAY INDUSTRIES, INC. (JP) 2004-06-15 US disclosed
US-20030013836-A1 Resin composition and articles molded therefrom TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) 2003-01-16 US disclosed
EP-1270646-A1 RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2003-01-02 EP disclosed