Monoethanolamine

Monoethanolamine

SCHEMBL1833201

NCCO.O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DHODH Q02127 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
Ethylenediamine SCHEMBL11628461 0.85 HTT (0.42) ALDH1A1TSHRHTTCES2CES1
Ethylene Glycol SCHEMBL29212815 0.85 DPP4 (0.37) ALDH1A1TSHRHTTCES2CES1
SCHEMBL205832 0.82 HTT (0.45) ALDH1A1TSHRHTTCES2CES1
SCHEMBL5406015 0.79 HTT (0.43) ALDH1A1TSHRHTTCES2CES1
SCHEMBL6227879 0.79 HTT (0.43) ALDH1A1TSHRHTTCES2CES1
SCHEMBL1303087 0.79 HTT (0.43) ALDH1A1TSHRHTTCES2CES1
SCHEMBL6903601 0.79 HTT (0.48) ALDH1A1TSHRHTTCES2CES1
SCHEMBL1157937 0.79 HTT (0.43) ALDH1A1TSHRHTTCES2CES1
SCHEMBL4899263 0.79 DPP4 (0.43) ALDH1A1TSHRHTTCES2CES1
SCHEMBL70425 0.79 DPP4 (0.43) ALDH1A1TSHRHTTCES2CES1

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
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