Trifluoroethanol

Trifluoroethanol

SCHEMBL6715198

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GABRR1 P24046 2/20 0.31
LMNA P02545 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
SCHEMBL45165 0.82
Ethylene Glycol SCHEMBL27751387 0.79 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL1273566 0.79 SLC22A6 (0.35) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL28001442 0.79
SCHEMBL27437876 0.79
SCHEMBL28325056 0.79
SCHEMBL29180593 0.79
Hydrochloric Acid SCHEMBL11213722 0.79
Methyl Alcohol SCHEMBL3561710 0.76
Methylene Chloride SCHEMBL9525414 0.76 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2GABRR1LMNA

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
US-20040072222-A1 Peptide analogues of myelin basic protein epitopes in the treatment of experimental autoimmune encephalomyelitis (eae) and multiple sclerosis (ms) MATSOUKAS JOHN (GR) 2004-04-15 US disclosed
EP-1370582-A1 PEPTIDE ANALOGUES OF MYELIN BASIC PROTEIN EPITOPES IN THE TREATMENT OF EXPERIMENTAL AUTOIMMUNE ENCEPHALOMYELITIS (EAE) AND MULTIPLE SCLEROSIS (MS) Matsoukas, John (GR) 2003-12-17 EP disclosed
WO-2002077025-A1 PEPTIDE ANALOGUES OF MYELIN BASIC PROTEIN EPITOPES IN THE TREATMENT OF EXPERIMENTAL AUTOIMMUNE ENCEPHALOMYELITIS (EAE) AND MULTIPLE SCLEROSIS (MS) MATSOUKAS JOHN (GR) 2002-10-03 WO disclosed