SCHEMBL1838351

SCHEMBL1838351

NCCCC(N)CCCO.O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ ENPEP Q07075 1/20 0.30
▸ RNPEP Q9H4A4 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
SCHEMBL1832437 0.81 GSR (0.34) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL5155014 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL1832370 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL1829915 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
SCHEMBL1834602 0.79 GSR (0.33) GSRCPB2ALDH1A1
Oxalic Acid SCHEMBL1830899 0.79 GSR (0.43) GSRCPB2ALDH1A1ANPEPENPEP
Monoethanolamine SCHEMBL1833201 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1836410 0.77 HMGB1 (0.39) GSRALDH1A1
Acetic Acid SCHEMBL1833072 0.77 GSR (0.42) GSRCPB2ALDH1A1ENPEPRNPEP
Glycolic Acid SCHEMBL1839847 0.77 GSR (0.42) GSRCPB2ALDH1A1ANPEPENPEP

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
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 — — EP claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 — — WO claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 — — US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 — — US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 — — US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 — — US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 — — US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 — — EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 — — US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 — — EP disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 — — WO disclosed
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