Monoethanolamine

Monoethanolamine

SCHEMBL7095004

CCCCC(CC)CCC(C)C(C(=O)O)(C(C)CCC(CC)CCCC)C(C(=O)O)S(=O)(=O)O.NCCO.NCCO.NCCO

nearest known ligand 0.35

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 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
CA2 P00918 3/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 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
Ammonia Solution, Strong SCHEMBL7099683 0.92 RECQL (0.39) RECQLCA2TP53ALDH1A1TDP1
Monoethanolamine SCHEMBL7958985 0.92 GABRR1 (0.30)
Monoethanolamine SCHEMBL7098966 0.87 TP53 (0.40) RECQLTP53
Ammonia Solution, Strong SCHEMBL7955239 0.82
Monoethanolamine SCHEMBL7098132 0.80 RECQL (0.37) RECQLCA2ALDH1A1TDP1MAPK1
Monoethanolamine SCHEMBL7099231 0.77 GPR84 (0.36) RECQLTP53
Ammonia Solution, Strong SCHEMBL7100038 0.77 TP53 (0.41) RECQLTP53
Monoethanolamine SCHEMBL7094954 0.77 CHRM1 (0.36) TDP1
SCHEMBL7100584 0.76 CA2 (0.46) RECQLCA2TP53ALDH1A1TDP1
Potassium Ion SCHEMBL7098111 0.76 CA2 (0.43) RECQLCA2TP53ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964036-B1 Water-based ball-point pen ink composition PILOT INK CO LTD (JP) 2003-08-27 EP disclosed
US-6261352-B1 BETAINE, SULFO ESTER THE PILOT INK CO., LTD. (JP) 2001-07-17 US disclosed
EP-0964036-A2 Water-based ball-point pen ink composition THE PILOT INK CO., LTD. (JP) 1999-12-15 EP disclosed