Hexane

Hexane

SCHEMBL7764657

CC(O)COC(C)CO.CCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
HTT P42858 2/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
Tetradecane SCHEMBL28400588 0.98 TDP1 (0.52) TDP1MAPTUSP2HSD17B10LMNA
Nonane SCHEMBL27364732 0.98 TDP1 (0.52) TDP1MAPTUSP2HSD17B10LMNA
SCHEMBL28029086 0.98 TDP1 (0.52) TDP1MAPTUSP2HSD17B10LMNA
Cetostearyl Alcohol SCHEMBL28030418 0.92 LMNA (0.48) TDP1MAPTUSP2HSD17B10LMNA
Butyl Alcohol SCHEMBL8718580 0.92 TDP1 (0.50) TDP1MAPTUSP2HSD17B10LMNA
Butane SCHEMBL28607574 0.91 TDP1 (0.57) TDP1MAPTUSP2HSD17B10LMNA
SCHEMBL28510630 0.91 TDP1 (0.46) TDP1MAPTUSP2HSD17B10LMNA
SCHEMBL28753006 0.89 TDP1 (0.53) TDP1MAPTUSP2HSD17B10SPHK1
SCHEMBL27876158 0.89 TDP1 (0.49) TDP1MAPTUSP2HSD17B10SPHK1
SCHEMBL27558067 0.89 TDP1 (0.49) TDP1MAPTUSP2HSD17B10SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099566-A1 Dampening water composition for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-05-16 EP claimed
EP-2762326-B1 PRINTING METHOD USING ON PRESS DEVELOPMENT LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORP (JP) 2017-08-23 EP disclosed
US-20140224140-A1 PRINTING METHOD USING LITHOGRAPHIC PRINTING PLATE PRECURSOR OF ON-PRESS DEVELOPMENT TYPE FUJIFILM COPORATION (JP) 2014-08-14 US disclosed
EP-2762326-A1 PRINTING METHOD USING ON PRESS DEVELOPMENT LITHOGRAPH PRINTING PLATE PRECURSOR FUJIFILM Corporation (JP) 2014-08-06 EP disclosed
EP-1099566-A1 Dampening water composition for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-05-16 EP disclosed