SCHEMBL8152290

SCHEMBL8152290

O=[N+]([O-])c1cccc(Oc2cc(Oc3cccc([N+](=O)[O-])c3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GPR17 Q13304 1/20 0.46
HTT P42858 1/20 0.46
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
ENPP2 Q13822 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KIF11 P52732 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43

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
SCHEMBL8144288 0.94 MAPT (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL24168437 0.92 MAPT (0.54) MAPTMEN1KMT2ALMNATSHR
SCHEMBL26215299 0.88 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNATSHR
SCHEMBL30334516 0.88 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNATSHR
SCHEMBL6273333 0.85 TSHR (0.64) MAPTMEN1KMT2ALMNATSHR
SCHEMBL30043252 0.85 TSHR (0.64) MAPTMEN1KMT2ALMNATSHR
SCHEMBL17472467 0.85 MAPT (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL15794676 0.85 ALDH1A1 (0.62) MAPTMEN1KMT2ALMNATSHR
SCHEMBL31009356 0.85 MAPT (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3543571 0.84 ALDH1A1 (0.46) MAPTMEN1KMT2ALMNATSHR

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
US-6103860-A LOW DIELECTRIC CONSTANT, EXCELLENT TRANSPARENCY, LOW HYGROSCOPICITY AND EXCELLENT PROCESSABILITY; SUBSTRATE FOR AN OPTICAL DISK, A PICK-UP LENS, A PLASTIC SUBSTRATE FOR A LIQUID CELL AND A PRISM MITSUI CHEMICALS, INC. (JP) 2000-08-15 US disclosed
US-5990261-A Organic optical component MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0826717-A1 An organic optical component MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-03-04 EP disclosed
EP-0565352-B1 Aromatic diamine and polyimide, and preparation process of same MITSUI TOATSU CHEMICALS (JP) 1997-07-30 EP disclosed
US-5410084-A Diamine having perfluoro group; colorless, transparent, heat resistant,low dielectric constant MITSUI TOATSU CHEMICALS, INC. (JP) 1995-04-25 US disclosed
US-5354839-A Low dielectric constant, colorless, transparent and excellent in processability and heat resistance MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-11 US disclosed
EP-0565352-A2 Aromatic diamine and polyimde, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-10-13 EP disclosed