SCHEMBL6566124

SCHEMBL6566124

[CH2]COCC(C)OCC(C)OCC(C)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.33

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
SCHEMBL8989517 0.86 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL11303091 0.86 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL17504736 0.86 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL250892 0.86 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL3653073 0.84 TDP1 (0.39) TDP1
SCHEMBL10021836 0.84 TDP1 (0.65) TDP1HSD17B10MAPK1
SCHEMBL43392 0.84 TDP1 (0.71) TDP1HSD17B10MAPK1
Water SCHEMBL15105007 0.81 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL811380 0.81 TDP1 (0.68) TDP1HSD17B10MAPK1
SCHEMBL35950 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048701-B1 Delocalized cationic azo dye for ink jet ink EASTMAN KODAK CO (US) 2004-04-07 EP disclosed
EP-1052274-B1 Cationic azo dye for ink jet ink EASTMAN KODAK CO (US) 2004-03-31 EP disclosed
EP-1052274-A2 Cationic azo dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-15 EP disclosed
US-6143061-A COMPRISING WATER, A HUMECTANT, AND A DELOCALIZED CATIONIC AZO DYE DERIVED FROM THE QUATEMIZATION OF A HETEROCYCLIC AZOAMINOTHIAZOLE DYE EASTMAN KODAK COMPANY (US) 2000-11-07 US disclosed
EP-1048701-A1 Delocalized cationic azo dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed
EP-1048703-A1 Dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed
US-6136079-A A PHOTOSTABLE COLOR MIXTURE COMPRISING WATER, A HUMECTANT AND A WATER-SOLUBLE OXONOL DYE EASTMAN KODAK COMPANY (US) 2000-10-24 US disclosed
US-6136080-A A PHOTOSTABLE COLOR MIXTURE COMPRISING WATER, A HUMECTANT, AND A CATIONIC AZO DYE DERIVED FROM THE QUATERNIZATION OF A PYRAZOLEAZOINDOLE DYE EASTMAN KODAK COMPANY (US) 2000-10-24 US disclosed