SCHEMBL9505376

SCHEMBL9505376

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

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9505367 1.00 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9508802 0.80
SCHEMBL3883003 0.80 CA2 (0.32)
SCHEMBL9506595 0.78
SCHEMBL25227542 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9509290 0.75
SCHEMBL1604902 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1606089 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9506552 0.71
SCHEMBL9505412 0.71 TDP1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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