Ether

Ether

SCHEMBL7051516

CC(C)COc1ccccc1.CCOCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAOA P21397 1/20 0.52
PTGS1 P23219 1/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
LTA4H P09960 2/20 0.48
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRB3 P13945 1/20 0.46
SCN4A P35499 2/20 0.46
KAT6A Q92794 1/20 0.42
KCNA3 P22001 1/20 0.41

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 SCHEMBL27634743 0.90 LMNA (0.63) LMNAMAOAPTGS1MAPTPOLB
SCHEMBL9178337 0.89 LMNA (0.68) LMNAMAOAPTGS1MAPTPOLB
SCHEMBL97377 0.89 LMNA (0.68) LMNAMAOAPTGS1MAPTPOLB
Ammonia Solution, Strong SCHEMBL28834669 0.87 LMNA (0.65) LMNAMAOAPTGS1MAPTPOLB
Methylamine SCHEMBL28036850 0.85 LMNA (0.63) LMNAMAOAPTGS1MAPTPOLB
Ethylene Glycol SCHEMBL6560927 0.82 LMNA (0.64) LMNAMAOAPTGS1MAPTPOLB
Anisole SCHEMBL28302257 0.82 LMNA (0.59) LMNAMAOAPTGS1MAPTPOLB
Phenetole SCHEMBL9065155 0.81 LTA4H (0.71) LMNAMAPTHPGDLTA4HKCNA3
Phenol SCHEMBL28176729 0.80 LMNA (0.62) LMNAMAOAPTGS1MAPTPOLB
Di(Hydroxyethyl)Ether SCHEMBL6559182 0.79 ALDH1A1 (0.57) LMNAMAOAPTGS1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003014052-A1 PREPARATION OF 1,3-PROPANEDIOL FROM ETHYLENE OXIDE BY HYDROFORMYLATION AND HYDROGENATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2003-02-20 WO disclosed
US-20030032845-A1 Forming 1,3-propanediol ARCO CHEMICAL TECHNOLOGY, L.P. 2003-02-13 US disclosed
WO-2002102754-A2 PROCESS FOR THE PREPARATION OF 3-HYDROXYPROPANAL ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2002-12-27 WO disclosed
WO-2002102752-A1 COBALT-CATALYZED PROCESS FOR PREPARING 1,3-PROPANEDIOL ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2002-12-27 WO disclosed
WO-2002102753-A2 PROCESS FOR PREPARING 3-HYDROXYPROPANAL ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2002-12-27 WO disclosed
US-6376724-B1 FROM ETHYLENE OXIDE AND CARBON MONOXIDE; HYDROFORMYLATION ARCO CHEMICAL TECHNOLOGY, L.P. 2002-04-23 US disclosed
US-6376720-B1 REACTING ETHYLENE OXIDE WITH CARBON MONOXIDE AND HYDROGEN ARCO CHEMICAL TECHNOLOGY, L.P. 2002-04-23 US disclosed
US-6323374-B1 CONTACTING ETHYLENE OXIDE WITH CARBON MONOXIDE AND HYDROGEN AT REACTION CONDITIONS IN PRESENCE OF NON-PHOSPHINE-LIGATED COBALT CATALYST AND AMIDE PROMOTER TO FORM 3-HYDROXYPROPANAL ARCO CHEMICAL TECHNOLOGY, L.P. 2001-11-27 US disclosed
US-5585528-A Cobalt-catalyzed process for preparing 1,3-propanediol using a lipophilic tertiary amine promoter SHELL OIL COMPANY (US) 1996-12-17 US disclosed