Octanal

Octanal

SCHEMBL6061355

CCCCCCCC=O.CCCCCCCCO

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.76
FAAH O00519 2/20 0.67
TRPV1 Q8NER1 2/20 0.67
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.57
EPHX1 P07099 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44

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
Hexanal SCHEMBL28743151 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Nonanal SCHEMBL11750647 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Hexanal SCHEMBL5504335 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Heptanal SCHEMBL2635440 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Tridecanal SCHEMBL10451602 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Hexanal SCHEMBL2635617 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Dodecanol SCHEMBL8387775 1.00 TSHR (0.76) TSHRFAAHTRPV1ALDH1A1LMNA
Octanal SCHEMBL6468578 0.98 TSHR (0.73) TSHRFAAHTRPV1ALDH1A1LMNA
Decanol SCHEMBL27552108 0.95 TSHR (0.68) TSHRFAAHTRPV1ALDH1A1LMNA
Olealdehyde SCHEMBL1277048 0.94 FAAH (0.79) TSHRFAAHTRPV1ALDH1A1LMNA

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
CN-102249872-B Method for producing aldehyde and ketone SHINETSU CHEMICAL CO 2014-06-18 CN disclosed
EP-1675680-A2 AEROBIC CATALYSTS FOR ALCOHOL OXIDATION IN ORGANIC SOLVENTS AND IN SUPERCRITICAL CARBON DIOXIDE, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE IN OXIDATIVE CONVERSIONS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2006-07-05 EP disclosed
WO-2005042155-A2 AEROBIC CATALYSTS FOR ALCOHOL OXIDATION IN ORGANIC SOLVENTS AND IN SUPERCRITICAL CARBON DIOXIDE, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE IN OXIDATIVE CONVERSIONS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2005-05-12 WO disclosed
EP-1487881-A2 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2004-12-22 EP disclosed
WO-2003066687-A2 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-14 WO disclosed
EP-1311627-A2 PROCESS FOR PRODUCING COATINGS USING SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-05-21 EP disclosed
EP-1309599-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-05-14 EP disclosed
WO-2002014326-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-21 WO disclosed
WO-2002014439-A2 PROCESS FOR PRODUCING COATINGS USING SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-21 WO disclosed