Ether

Ether

SCHEMBL2249102

CCCOC(=O)CCC.CCOCC.OCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MGLL Q99685 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
TSHR P16473 1/20 0.38
TOP2A P11388 2/20 0.37
DNM1 Q05193 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAPT P10636 3/20 0.36
BLM P54132 1/20 0.36
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
Ether SCHEMBL11773848 0.90 NAAA (0.47) DGKAALDH1A1MGLLDNM1HTR2C
Ether SCHEMBL3263938 0.90 MGLL (0.47) DGKAALDH1A1MGLLADRA2AADRA1A
Ether SCHEMBL181590 0.89 DGKA (0.50) DGKAALDH1A1MGLLTSHRDNM1
Ether SCHEMBL2250600 0.88 CYP4F2 (0.47) DGKAALDH1A1TSHRCYP4F2CYP4A11
Propanol SCHEMBL7782732 0.87 ALDH1A1 (0.50) DGKAALDH1A1MGLLADRA2AADRA1A
Ether SCHEMBL2962820 0.87 DGKA (0.40) DGKAALDH1A1MGLLADRA2AADRA1A
Ether SCHEMBL5414917 0.86 NAAA (0.50) DGKAALDH1A1TSHRDNM1BLM
Ethylene Glycol Dibutanoate SCHEMBL50505 0.85 DGKA (0.58) DGKAALDH1A1MGLLADRA2AADRA1A
SCHEMBL125157 0.85
Ether SCHEMBL19666687 0.85 EPHX2 (0.47) DGKAALDH1A1MGLLADRA2AADRA1A

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-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 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-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX DGKA 1144/4885ALDH1A1 2866/4885MGLL 19/4885

“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.