SCHEMBL9714949

SCHEMBL9714949

O=C(O)C/C=C(/CC(F)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
ABAT P80404 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CPB1 P15086 1/20 0.32
ACLY P53396 2/20 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
SCHEMBL2121629 0.75 GRIK1 (0.40) ABATKDM4ETSHR
SCHEMBL7248010 0.75 GRIK1 (0.40) ABATKDM4ETSHR
SCHEMBL6709352 0.73 KDM4E (0.50) ABATKDM4ETSHR
SCHEMBL845019 0.73 ABAT (0.32) ABATKDM4ETSHR
SCHEMBL845018 0.73 ABAT (0.32) ABATKDM4ETSHR
SCHEMBL4887355 0.72 TSHR (0.54) ALDH1A1CYP2D6ALOX15ABATKDM4E
SCHEMBL19407227 0.72 TSHR (0.54) ALDH1A1CYP2D6ALOX15ABATKDM4E
SCHEMBL13541377 0.72 TSHR (0.54) ALDH1A1CYP2D6ALOX15ABATKDM4E
SCHEMBL11842601 0.70 FFAR3 (0.43) ALDH1A1CYP2D6ALOX15ABATKDM4E
SCHEMBL542016 0.70 LMNA (0.45) ALDH1A1CYP2D6ALOX15ABATKDM4E

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-0242080-B1 COPOLYMER COMPOSITIONS PARAGON OPTICAL INC (US) 1992-12-16 EP claimed
EP-1708027-B1 UPPER LAYER FILM FORMING COMPOSITION FOR LIQUID IMMERSION AND METHOD OF FORMING PHOTORESIST PATTERN JSR CORP (JP) 2019-03-13 EP disclosed
US-8247165-B2 Upper layer film forming composition for liquid immersion and method of forming photoresist pattern JSR CORPORATION (JP) 2012-08-21 US disclosed