1-Hexanol

1-Hexanol

SCHEMBL8042215

CC(C)=O.CCCCCCO.CO

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.72
ALDH1A1 P00352 4/20 0.72
LMNA P02545 2/20 0.72
HSD17B10 Q99714 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.67
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46

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
Decanol SCHEMBL10632196 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
Myristyl Alcohol SCHEMBL8386534 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
1-Pentanol SCHEMBL29007132 0.97 SMN1; SMN2 (0.71) TSHRALDH1A1LMNAHSD17B10MEN1
Octanol SCHEMBL9421836 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
1-Hexanol SCHEMBL9376001 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
Dodecanol SCHEMBL16553472 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
1-Hexanol SCHEMBL8039963 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
1-Heptanol SCHEMBL15874718 0.97 TSHR (0.77) TSHRALDH1A1LMNAHSD17B10MEN1
1-Hexanol SCHEMBL28092753 0.90 TSHR (0.65) TSHRALDH1A1LMNAHSD17B10MEN1
1-Heptanol SCHEMBL25433349 0.89 TSHR (0.72) TSHRALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654079-A4 A REAGENT STABILIZED BY BIVALENT METAL SALTS. BOEHRINGER MANNHEIM CORP (US) 1996-10-02 EP claimed
EP-0654079-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1995-05-24 EP claimed
WO-1994001544-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1994-01-20 WO claimed
EP-0654079-B1 A REAGENT STABILIZED BY BIVALENT METAL SALTS ROCHE DIAGNOSTICS CORP (US) 2000-03-22 EP disclosed
EP-0654079-A4 A REAGENT STABILIZED BY BIVALENT METAL SALTS. BOEHRINGER MANNHEIM CORP (US) 1996-10-02 EP disclosed
EP-0654079-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994001544-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1994-01-20 WO disclosed