Trolamine

Trolamine

SCHEMBL7098968

CCCCCC(C)C(C(=O)O)C(C(=O)O)(C(C)CCCCC)S(=O)(=O)O.OCCN(CCO)CCO

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
HSPD1 P10809 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30
MAPT P10636 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL7095228 0.89 TP53 (0.38) TP53ALDH1A1ACE2GPR84FFAR1
Ammonia Solution, Strong SCHEMBL7100043 0.89 TP53 (0.38) TP53ALDH1A1ACE2GPR84FFAR1
Ammonia Solution, Strong SCHEMBL7100042 0.89 TP53 (0.38) TP53ALDH1A1ACE2GPR84FFAR1
SCHEMBL7102093 0.89 TP53 (0.38) TP53ALDH1A1ACE2GPR84FFAR1
Trolamine SCHEMBL7095006 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8411827 0.85 CA2 (0.34) TP53ACE2GPR84FFAR1HSPD1
Trolamine SCHEMBL7099235 0.76 GPR84 (0.31) GPR84FFAR1HSPD1BLMHSPE1
SCHEMBL7100589 0.74 CA2 (0.35) TP53ALDH1A1
Ammonia Solution, Strong SCHEMBL7099686 0.74 CA2 (0.35) TP53ALDH1A1
Trolamine SCHEMBL7094955 0.73

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