Trifluoroethanol

Trifluoroethanol

SCHEMBL3397232

O=C(OCC(F)(F)F)OCC(F)(F)F.OCC(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.33
FABP7 O15540 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL308851 0.92 HTT (0.59) HTTALDH1A1FABP7CA1CA2
SCHEMBL1904597 0.84 HTT (0.52) HTTALDH1A1FABP7CA1CA2
SCHEMBL31275761 0.82 HTT (0.50) HTTALDH1A1FABP7CA1CA2
SCHEMBL8718142 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL30181660 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL698633 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL8083410 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL10262809 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL695953 0.80 HTT (0.48) HTTALDH1A1FABP7CA1CA2
SCHEMBL575206 0.80 ALDH1A1 (0.62) HTTALDH1A1FABP7SMN1; SMN2MEN1

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
EP-2247686-A1 HEAT TRANSFER APPARATUS AND METHODS INCLUDING HYDROFLUOROCARBONATES 3M Innovative Properties Company (US) 2010-11-10 EP disclosed
WO-2009094278-A1 HEAT TRANSFER APPARATUS AND METHODS INCLUDING HYDROFLUOROCARBONATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-30 WO disclosed