SCHEMBL9507580

SCHEMBL9507580

O[C@@H](CBr)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9507620 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL31376565 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9506615 0.72 GSK3B (0.32) ALDH1A1
SCHEMBL9508796 0.72 GSK3B (0.32) ALDH1A1
SCHEMBL6752613 0.72 LMNA (0.37)
SCHEMBL9073863 0.72 ADRA2A (0.43)
SCHEMBL7787318 0.70 ADRB2 (0.32)
SCHEMBL22206827 0.70 THRB (0.33)
SCHEMBL3938008 0.67
SCHEMBL407601 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1316332-A None JP disclosed
EP-0337820-B1 PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS NIKKO KYODO CO., LTD. (JP) 1993-07-28 EP disclosed
US-5041641-A Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids NIPPON MINING COMPANY LIMITED (JP) 1991-08-20 US disclosed
JP-H01316332-A OPTICALLY ACTIVE PENTAFLUOROPHENYL DERIVATIVE AND PRODUCTION THEREOF NIPPON MINING CO LTD 1989-12-21 JP disclosed
EP-0337820-A1 Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids NIKKO KYODO CO., LTD. (JP) 1989-10-18 EP disclosed