Hexanal

Hexanal

SCHEMBL8879558

CCCCCC=O.Oc1ccc(O)c(O)c1O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TRPV1 Q8NER1 2/20 0.57
FAAH O00519 2/20 0.52
TYR P14679 1/20 0.41
OPRM1 P35372 1/20 0.40
HIF1A Q16665 1/20 0.40
IAPP P10997 1/20 0.39

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
Pyrogallol SCHEMBL8879005 0.89 TSHR (0.54) TSHRTRPV1FAAHIAPP
Undecanal SCHEMBL28124503 0.82 TSHR (0.67) TSHRTRPV1FAAHHIF1A
Hexanal SCHEMBL15717091 0.78 TSHR (0.56) TSHRTRPV1FAAHHIF1A
Propionaldehyde SCHEMBL27318810 0.78 ALDH1A1 (0.47) IAPP
Hexanal SCHEMBL27897439 0.78
Heptanal SCHEMBL11195430 0.78 TSHR (0.94) TSHRTRPV1FAAHHIF1A
Hexanal SCHEMBL27594083 0.78 TSHR (0.94) TSHRTRPV1FAAHHIF1A
Hexanal SCHEMBL22263 0.78
Hexanal SCHEMBL1868190 0.78 TSHR (0.94) TSHRTRPV1FAAHHIF1A
Octanal SCHEMBL27493183 0.75 TSHR (0.89) TSHRTRPV1FAAHHIF1A

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-5618932-A Photoactive compounds and compositions SHIPLEY COMPANY, L.L.C. (US) 1997-04-08 US disclosed
US-5514515-A Photoactive compounds having a heterocyclic group used in photoresist compositions SHIPLEY COMPANY, L.L.C. (US) 1996-05-07 US disclosed