SCHEMBL18816331

SCHEMBL18816331

CC(O)COC(C)C1(O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL460052 0.94 TDP1 (0.38) TDP1MAPK1HSD17B10
SCHEMBL28821937 0.69 TDP1 (0.38) TDP1
SCHEMBL9127482 0.69 TDP1 (0.33) TDP1MAPK1HSD17B10
SCHEMBL9050444 0.68 TSHR (0.38) MAPK1HSD17B10
SCHEMBL6092506 0.66
SCHEMBL7934841 0.64 SLC6A2 (0.36)
SCHEMBL9380578 0.64 SLC6A2 (0.36)
SCHEMBL3764843 0.64 SLC6A2 (0.36)
SCHEMBL9050501 0.64 CYP19A1 (0.33) MAPK1HSD17B10
SCHEMBL2703 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200170247-A1 HAND DISINFECTANTS HANS GEORG HAGLEITNER (AT) 2020-06-04 US disclosed
US-20170127672-A1 HAND DISINFECTANTS HAGLEITNER, HANS GEORG (AT) 2017-05-11 US disclosed