Trolamine

Trolamine

SCHEMBL9304476

CCCCCC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CCCCC)ccc2O)c1.OCCN(CCO)CCO.[Ni]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.47
CNR2 P34972 18/20 0.47
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2059692 0.90 CNR2 (0.53) CNR1CNR2
SCHEMBL3825937 0.90 CNR2 (0.53) CNR1CNR2
SCHEMBL51668 0.88 CNR2 (0.55) CNR1CNR2
Dodecanol SCHEMBL9297423 0.87 CNR1 (0.54) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL11578857 0.87 CNR2 (0.57) CNR1CNR2
Trolamine SCHEMBL543206 0.84 CNR2 (0.41) CNR1CNR2ALDH1A1TP53CYP1A2
Trolamine SCHEMBL7198427 0.84 CNR2 (0.40) CNR1CNR2ALDH1A1TP53CYP1A2
Butylamine SCHEMBL1532624 0.84 CNR1 (0.50) CNR1CNR2
Ammonia Solution, Strong SCHEMBL4359375 0.83 CNR1 (0.47) CNR1CNR2ALDH1A1TP53CYP1A2
Butylamine SCHEMBL10880274 0.82 CNR1 (0.51) CNR1CNR2

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
US-5319016-A Blend of vinyl polymer, modified polyolefin and hydrogenated vinyl-aliphatic diene block polymer in solvent CHISSO CORPORATION (JP) 1994-06-07 US disclosed
EP-0406828-B1 Emulsion adhesive composition and process for production thereof CHISSO CORP (JP) 1994-05-11 EP disclosed
EP-0406828-A1 Emulsion adhesive composition and process for production thereof Chisso Corporation (JP) 1991-01-09 EP disclosed