SCHEMBL854628

SCHEMBL854628

O=C1OC(=O)c2c(F)cc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TYR P14679 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LOX P28300 1/20 0.32
TYMS P04818 1/20 0.31
ALOX5 P09917 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL855592 0.79 ALDH1A1 (0.38) ALOX15TDP1TYMSTSHRALDH1A1
SCHEMBL30451169 0.79 TSHR (0.38) ALOX15TDP1TSHR
SCHEMBL26183091 0.79 TSHR (0.38) ALOX15TDP1TSHR
SCHEMBL31419795 0.79 TDP1 (0.34) ALOX15TDP1MAOAMAOBTSHR
SCHEMBL19585826 0.79 TDP1 (0.34) ALOX15TDP1MAOAMAOBTSHR
SCHEMBL854471 0.79 TSHR (0.38) ALOX15TDP1TSHR
SCHEMBL28283847 0.76 ALOX15 (0.32) ALOX15TDP1
SCHEMBL127075 0.76 ALOX15 (0.39) ALOX15TDP1TYMSTSHRALDH1A1
SCHEMBL18016210 0.75 NPC1 (0.37) ALOX15TDP1ALDH1A1
SCHEMBL30523205 0.74 ALOX15 (0.37) ALOX15TDP1TYMSALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405995-A Difluorophthalic compounds and their preparation OCCIDENTAL CHEMICAL CORPORATION (US) 1995-04-11 US claimed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-5405995-A Difluorophthalic compounds and their preparation OCCIDENTAL CHEMICAL CORPORATION (US) 1995-04-11 US disclosed
US-5405995-A Difluorophthalic compounds and their preparation OCCIDENTAL CHEMICAL CORPORATION (US) 1995-04-11 US disclosed
EP-0128453-B1 PROCESS FOR PREPARING FLUOROPHTHALIC-ACID IMIDES BASF Aktiengesellschaft (DE) 1989-10-11 EP disclosed
US-4680412-A Preparation of fluorophthalimides BASF AKTIENGESELLSCHAFT (DE) 1987-07-14 US disclosed
EP-0128453-A2 Process for preparing fluorophthalic-acid imides BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed