Ether

Ether

SCHEMBL5066675

CCOCC.O=C(O)CO[N+](=O)[O-]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.33
PTGS1 P23219 1/20 0.33
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
THRB P10828 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
SCHEMBL456770 0.87
SCHEMBL28185249 0.84
Phosphoric Acid SCHEMBL305359 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNABLM
Ether SCHEMBL23420287 0.77 ALDH1A1 (0.42) ALDH1A1TSHR
Ether SCHEMBL6677850 0.74 PTGS1 (0.45) ALDH1A1PTGS1GLAL3MBTL1LMNA
Ether SCHEMBL28450525 0.74 FFAR3 (0.42) ALDH1A1PTGS1GLAL3MBTL1LMNA
Acetic Acid SCHEMBL28366620 0.73 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL14224965 0.72 GAA (0.46) ALDH1A1LMNAMAPTTSHR
Ether SCHEMBL14993415 0.72 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2230834 0.72 ALDH1A1 (0.34) ALDH1A1PTGS1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682616-B1 THERMALLY STABLE; GENERATING LESS CARBON MONOXIDE AND CHLORINE CONTAINING GASES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-27 US claimed
EP-1205459-A1 GAS-GENERATING AGENT COMPOSITION FOR PRETENTIONER Daicel Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
JP-11171680-A None JP disclosed
JP-8207428-A None JP disclosed
US-7335270-B2 Gas generating composition and gas generator NOF CORPORATION (JP) 2008-02-26 US disclosed
US-6846373-B2 Gas-generating compositions NOF CORPORATION (JP) 2005-01-25 US disclosed
US-6682616-B1 THERMALLY STABLE; GENERATING LESS CARBON MONOXIDE AND CHLORINE CONTAINING GASES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-27 US disclosed
US-20030097953-A1 Gas generating composition and gas generator NOF CORPORATION (JP) 2003-05-29 US disclosed
US-20020121321-A1 Gas-generating compositions NOF CORPORATION (JP) 2002-09-05 US disclosed
EP-1205459-A1 GAS-GENERATING AGENT COMPOSITION FOR PRETENTIONER Daicel Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
JP-H11171680-A HIGH-PERFORMANCE GUNPOWDER COMPOSITION ASAHI CHEM IND CO LTD 1999-06-29 JP disclosed
JP-H08207428-A ACCEPTING BODY FOR OVERHEAD PROJECTOR ASIA GENSHI KK 1996-08-13 JP disclosed