Ether

Ether

SCHEMBL21829109

CCOCC.OCC(O)COCC1CO1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
PDK1 Q15118 2/20 0.32
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 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
Propane SCHEMBL8922359 0.93 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL40586 0.91 TSHR (0.45) ALDH1A1SMN1; SMN2TDP1USP2TSHR
Methane SCHEMBL28850574 0.89 TSHR (0.43) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL16134389 0.89 TSHR (0.43) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL13024112 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
Benzene SCHEMBL28184515 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL27870592 0.85 TSHR (0.43) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL8931133 0.84 TSHR (0.39) ALDH1A1SMN1; SMN2TDP1USP2TSHR
SCHEMBL4282114 0.82 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1USP2TSHR
Propylene Glycol SCHEMBL21496132 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861039-B1 HYDROGEL COMPOSITIONS OPHTALMIC CIE (FR) 2023-11-01 EP disclosed
US-20210369911-A1 HYDROGEL COMPOSITIONS UNIVERSITÉ DE HAUTE-ALSACE (FR) 2021-12-02 US disclosed
EP-3861042-A1 HYDROGEL COMPOSITIONS Ophtalmic Compagnie (FR) 2021-08-11 EP disclosed
EP-3861039-A1 HYDROGEL COMPOSITIONS Ophtalmic Compagnie (FR) 2021-08-11 EP disclosed
WO-2020070422-A1 HYDROGEL COMPOSITIONS OPHTALMIC COMPAGNIE (FR) 2020-04-09 WO disclosed
WO-2020070423-A1 HYDROGEL COMPOSITIONS OPHTALMIC COMPAGNIE (FR) 2020-04-09 WO disclosed