SCHEMBL9618655

SCHEMBL9618655

OCCOCC(O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CETP P11597 1/20 0.39
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL6239864 0.96 KMT2A (0.48) TSHRMAPK1KMT2AMEN1CETP
SCHEMBL6241037 0.96 KMT2A (0.48) TSHRMAPK1KMT2AMEN1CETP
SCHEMBL6232960 0.96 KMT2A (0.48) TSHRMAPK1KMT2AMEN1CETP
SCHEMBL9550834 0.87 CETP (0.43) KMT2ACETPLMNAHTTPKM
SCHEMBL25456811 0.84 ALDH1A1 (0.32) TSHRMAPK1KMT2AMEN1CETP
SCHEMBL8597882 0.79 HSD17B10 (0.54) CETPHTTALDH1A1PKMHSD17B10
SCHEMBL28490061 0.78 TSHR (0.43) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL309704 0.77 CETP (0.36) CETPALDH1A1PKMHSD17B10
SCHEMBL309703 0.77 CETP (0.36) CETPALDH1A1PKMHSD17B10
SCHEMBL28310377 0.76 TSHR (0.41) TSHRMAPK1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4364148-A None JP disclosed
JP-H04364148-A POLYOL COMPOUND HAVING TRIFLUOROMETHYL GROUP AND ITS PRODUCTION NIKKO KYODO CO LTD 1992-12-16 JP disclosed