Hexane

Hexane

SCHEMBL7785141

CC(C)O.CCCCCC.N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
SPHK1 Q9NYA1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
OPRM1 P35372 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
CA1 P00915 1/20 0.42

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 SCHEMBL8457635 0.96 TSHR (0.47) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL7784664 0.96 TSHR (0.47) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9301737 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL2244744 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9253671 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL23068705 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9405694 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL42593 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL9260176 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA
Hexane SCHEMBL2466815 0.96 TSHR (0.54) TSHRTHRBSPHK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252060-B1 COMPLEX CONTAINING DIDEOXYGUANOSINE NEXSTAR PHARMACEUTICALS, INC. 2001-06-26 US disclosed
US-5817638-A USING HYBRID NUCLEOSIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5780617-A PHOSPHORYLATION OF A PHOSPHATIDES WITH A NUCLEOTIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
EP-0594677-A4 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL INC (US) 1997-09-17 EP disclosed
EP-0594677-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B NeXstar Pharmaceuticals, Inc. (US) 1994-05-04 EP disclosed
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP disclosed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP disclosed
WO-1993000910-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL, INC. (US) 1993-01-21 WO disclosed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO disclosed