SCHEMBL9505395

SCHEMBL9505395

Fc1c(F)c(F)c([C@@H]2CO2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 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
SCHEMBL6140411 1.00 KDM1A (0.38) KDM1AMAOAMAOBTSHRUSP2
SCHEMBL23652547 0.84
SCHEMBL23652657 0.78 TSHR (0.32) TSHR
SCHEMBL23664991 0.78
SCHEMBL23652523 0.75 SLC6A2 (0.33)
SCHEMBL16585932 0.67 TSHR (0.42) KDM1ATSHR
SCHEMBL9577046 0.66 CHRNB2 (0.31) TSHR
SCHEMBL19688664 0.64 TSHR (0.30) TSHR
SCHEMBL17865231 0.64 TSHR (0.30) TSHR
SCHEMBL13610870 0.62 TSHR (0.32) TSHR

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