Ether

Ether

SCHEMBL9858747

C=CC(=O)OC(C)(N)N.CCOCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL187960 0.88
Hydrochloric Acid SCHEMBL29148781 0.84 TSHR (0.34) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14509342 0.77 THRB (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL2046536 0.76 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1898814 0.76 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
Ether SCHEMBL8019472 0.75 TSHR (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1561561 0.74
SCHEMBL3284091 0.74 TSHR (0.37) THRBTSHRHPGDALDH1A1TP53
Chloromethane SCHEMBL8427833 0.74 THRB (0.40) THRBTSHRHPGDALDH1A1TP53
Hydrochloric Acid SCHEMBL7804778 0.74 THRB (0.40) THRBTSHRHPGDALDH1A1TP53

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-5075503-A Epoxy curing agent;chain extension for polyureas TEXACO CHEMICAL COMPANY (US) 1991-12-24 US disclosed