SCHEMBL8990341

SCHEMBL8990341

Cc1c([N+](=O)[O-])c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8990379 1.00 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL24117879 0.77 TDP1 (0.37) ALDH1A1TDP1
SCHEMBL10440636 0.74
SCHEMBL10440608 0.71
SCHEMBL4927428 0.71 TDP1 (0.50) ALDH1A1TDP1
SCHEMBL9608252 0.69 TDP1 (0.34) ALDH1A1TDP1
SCHEMBL15957865 0.68 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL8939331 0.67
SCHEMBL273394 0.66 TSHR (0.41) ALDH1A1TDP1
SCHEMBL15957606 0.66 TDP1 (0.50) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644870-B1 PERFLUOROALKYLATED DIAMINOMESITYLENE AND POLYIMIDES THEREFROM DU PONT (US) 1996-07-17 EP disclosed
EP-0507293-B1 Liquid crystal displays of high tilt bias angles DU PONT (US) 1995-10-11 EP disclosed
EP-0520235-B1 Method of preparing 2-bromo-4,6-dinitromesitylene DU PONT (US) 1995-03-29 EP disclosed
EP-0644870-A1 PERFLUOROALKYLATED DIAMINOMESITYLENE AND POLYIMIDES THEREFROM. DU PONT (US) 1995-03-29 EP disclosed
US-5186985-A Polyimide layer comprises of an acid dianhydride and diamine with pendant perfluorinated chain E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-16 US disclosed
US-5177179-A Reduced moisture absorption and dielectric constant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-05 US disclosed
EP-0520235-A2 Method of preparing 2-bromo-4,6-dinitromesitylene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-30 EP disclosed
WO-1992017439-A2 PERFLUOROALKYLATED DIAMINOMESITYLENE AND POLYIMIDES THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-15 WO disclosed
EP-0507293-A2 Liquid crystal displays of high tilt bias angles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
US-5118880-A Mixing fuming sulfuric acid with bromomesitylene, then concentrated nitric acid E. I. DU PONT DE NEMOURS & CO. (US) 1992-06-02 US disclosed