SCHEMBL8081987

SCHEMBL8081987

O=C(Br)c1cc(F)c(F)c(F)c1C(=O)Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CES2 O00748 9/20 0.39
CES1 P23141 9/20 0.39
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
DGAT1 O75907 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL28745861 0.72 CES2 (0.39) CA1CA2CA4CES2CES1
SCHEMBL5336692 0.71 KEAP1 (0.44) CA1CA2CA4CES2CES1
SCHEMBL31041213 0.71 KEAP1 (0.44) CA1CA2CA4CES2CES1
SCHEMBL17361069 0.70 CES2 (0.42) CA1CA2CA4CES2CES1
SCHEMBL8084936 0.70 CA1 (0.40) CA1CA2CA4CES2CES1
SCHEMBL8072641 0.70 ALDH1A1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL31265347 0.68 CA1 (0.63) CA1CA2CA4CES2CES1
SCHEMBL30818405 0.67 CES2 (0.64) CA1CA2CA4CES2CES1
SCHEMBL4851418 0.67 CES2 (0.46) CA1CA2CA4CES2CES1
Fluoride SCHEMBL28471026 0.67 CES2 (0.46) CA1CA2CA4CES2CES1

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-6048986-A DEHYDRATION OF DIFLUOROPYROMELLITIC ACID TO FORM DIFLUOROPYROMELLITIC DIANHYDRIDE NIPPON TELEGRAPH AND TELEPHONE CORP. (JP) 2000-04-11 US disclosed
US-5849934-A Method for preparing aromatic compounds NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1998-12-15 US disclosed
US-5750731-A POLYIMIDE ANHYDRIDE MONOMERS NIPPON TELEGRAPH & TELEPHONE CORPORATION (JP) 1998-05-12 US disclosed
EP-0480266-B1 Perfluorinated polyimide, perfluorinated poly(amic acid), starting compounds therefor, and methods for preparing them NIPPON TELEGRAPH & TELEPHONE (JP) 1996-06-26 EP disclosed
US-5449741-A Electronics with impact strength NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1995-09-12 US disclosed
US-5233018-A Heat resistance and low optical transmission loss in the near-infrared region; integrated circuits NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1993-08-03 US disclosed
EP-0480266-A2 Perfluorinated polyimide, perfluorinated poly(amic acid), starting compounds therefor, and methods for preparing them NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-04-15 EP disclosed