Ether

Ether

SCHEMBL17162149

C=CC(OCC)OP(=O)(O)O.CCOCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 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
Phosphoric Acid SCHEMBL17162151 0.77 MEN1 (0.35) MEN1CYP1A2KMT2A
Ether SCHEMBL463448 0.76 SMPD1 (0.34) SMPD1
SCHEMBL9276403 0.72 SMPD1 (0.31) SMPD1
SCHEMBL35990 0.71
Urea SCHEMBL28943104 0.69 ALOX15 (0.37) MEN1KMT2A
Ether SCHEMBL28981246 0.69 SMPD1 (0.39) SMPD1MEN1CYP1A2KMT2A
SCHEMBL31298226 0.68 THRB (0.48) SMPD1MEN1CYP1A2KMT2A
Glycerylphosphate SCHEMBL386955 0.67 SMPD1 (0.38) SMPD1
Ether SCHEMBL15974122 0.67 TSHR (0.39) SMPD1
SCHEMBL6554146 0.67 THRB (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION STS, ARSA, TST SMPD1 903/4885MEN1 2888/4885CYP1A2 3236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.