SCHEMBL1832437

SCHEMBL1832437

NCCCC(N)CCCO.O=C(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ FOLH1 Q04609 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ ENPEP Q07075 1/20 0.30
▸ RNPEP Q9H4A4 1/20 0.30
▸ HTT P42858 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
SCHEMBL1838351 0.81 GSR (0.34) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL1829915 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL1832370 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
Bicarbonate SCHEMBL5155014 0.80 GSR (0.45) GSRCPB2ALDH1A1ANPEPENPEP
SCHEMBL1834602 0.79 GSR (0.33) GSRCPB2ALDH1A1HTT
Oxalic Acid SCHEMBL1830899 0.79 GSR (0.43) GSRCPB2ALDH1A1ANPEPENPEP
Monoethanolamine SCHEMBL1833733 0.78 TSHR (0.38) PKMSMN1; SMN2ALDH1A1HTT
SCHEMBL1836410 0.77 HMGB1 (0.39) GSRFOLH1ALDH1A1HTT
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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback