Hexane

Hexane

SCHEMBL8941754

CCCCCC.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
THRB P10828 1/20 0.47
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DNM1 Q05193 1/20 0.38
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37

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
Hexane SCHEMBL20394309 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Hexane SCHEMBL27883537 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
SCHEMBL28110361 0.97 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Undecane SCHEMBL27980003 0.97 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Nonane SCHEMBL20394146 0.97 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Octane SCHEMBL20394165 0.97 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Heptane SCHEMBL20394201 0.97 LMNA (0.56) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Pentane SCHEMBL20394253 0.93 TSHR (0.50) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
1-Pentanol SCHEMBL27576536 0.91 SMN1; SMN2 (0.71) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
Cetostearyl Alcohol SCHEMBL23701087 0.88 LMNA (0.72) SMN1; SMN2LMNATSHRALDH1A1HSD17B10

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-5560796-A RELEASABLE BASE; AT LEAST ONE PICTURE PRINTING LAYER; AN ULTRA VIOLET RADIATION CURABLE ADHESIVE LAYER; AND A RELEASE LAYER SAKURA COLOR PRODUCTS CORPORATION (JP) 1996-10-01 US claimed
WO-2024019111-A1 LEVELING AGENT FOR COATING MATERIAL, AND COATING MATERIAL COMPOSITION 楠本化成株式会社 2024-01-25 WO disclosed