Monoethanolamine

Monoethanolamine

SCHEMBL1833733

NCCO.O=C(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32

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
Ethylenediamine SCHEMBL4584735 0.90 HTT (0.38) TSHRHTTSMN1; SMN2PKMMEN1
Ethylene Glycol SCHEMBL4583804 0.87 TSHR (0.41) TSHRALDH1A1HTTSMN1; SMN2PKM
Hydroxyamine SCHEMBL31050881 0.82 CES2 (0.40) TSHRHTTSMN1; SMN2PKMMEN1
SCHEMBL203915 0.82 CES2 (0.43) TSHRHTTSMN1; SMN2PKMMEN1
Ammonia Solution, Strong SCHEMBL20291864 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1
SCHEMBL16756190 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1
SCHEMBL2150002 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1
Hydrochloric Acid SCHEMBL11033629 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1
SCHEMBL336420 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1
SCHEMBL28389339 0.79 CES2 (0.42) TSHRHTTSMN1; SMN2PKMMEN1

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 7 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-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed