Hexane

Hexane

SCHEMBL7764654

C=CC.C=CC.CCCCCC.CCOCC.OCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
Butyl Alcohol SCHEMBL3603593 0.93 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1LMNAMEN1
Ether SCHEMBL9445610 0.90 ALDH1A1 (0.43) TSHRALDH1A1MEN1KMT2ATHRB
Ether SCHEMBL2112315 0.90 ALDH1A1 (0.48) TSHRALDH1A1
Ether SCHEMBL250891 0.90 ALDH1A1 (0.48) TSHRALDH1A1
Ether SCHEMBL43391 0.90 ALDH1A1 (0.48) TSHRALDH1A1
Ether SCHEMBL8958539 0.90 ALDH1A1 (0.48) TSHRALDH1A1
Ether SCHEMBL1070562 0.90 ALDH1A1 (0.48) TSHRALDH1A1
Ether SCHEMBL9069097 0.90 TSHR (0.54) SMN1; SMN2TSHRALDH1A1LMNAMEN1
Ether SCHEMBL20488836 0.89 TSHR (0.58) SMN1; SMN2TSHRALDH1A1LMNAMEN1
Ether SCHEMBL20957523 0.89 TSHR (0.58) SMN1; SMN2TSHRALDH1A1LMNAMEN1

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