Ether

Ether

SCHEMBL9154773

C(CC1CO1)C1CO1.CCCC(O)O.CCOCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
PDK1 Q15118 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
SCHEMBL9154778 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1
Ether SCHEMBL78444 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1PDK1
SCHEMBL18110 0.81 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2TDP1PDK1
Ether SCHEMBL107913 0.79 ALDH1A1 (0.35) ALDH1A1TDP1
Methylamine SCHEMBL28321012 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TDP1PDK1
Water SCHEMBL29133266 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TDP1PDK1
Ether SCHEMBL1786734 0.77 HSD17B10 (0.33) ALDH1A1TDP1
Ether SCHEMBL7880569 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TDP1PDK1
SCHEMBL28044375 0.76 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TDP1
SCHEMBL28240724 0.76 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TDP1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452055-B1 Surfaces with reduced protein interactions HEWLETT PACKARD CO (US) 1995-01-11 EP disclosed
EP-0377649-B1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION Hewlett-Packard Company (US) 1993-03-10 EP disclosed
US-5114768-A Electrophoretic protein separation HEWLETT-PACKARD COMPANY (US) 1992-05-19 US disclosed
EP-0452055-A1 Surfaces with reduced protein interactions Hewlett-Packard Company (US) 1991-10-16 EP disclosed
US-5006313-A Halogenated surface with reduced protein interaction HEWLETT-PACKARD COMPANY (US) 1991-04-09 US disclosed
EP-0377649-A1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION. HEWLETT PACKARD CO (US) 1990-07-18 EP disclosed
WO-1989012225-A1 HALOGENATED SURFACE WITH REDUCED PROTEIN INTERACTION HEWLETT-PACKARD COMPANY (US) 1989-12-14 WO disclosed