2,4-Hexadienal

2,4-Hexadienal

SCHEMBL7747546

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nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TRPA1 O75762 4/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.34
CNR1 P21554 5/20 0.31
CNR2 P34972 5/20 0.31
GAPDH P04406 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
IAPP P10997 1/20 0.30

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
2,4-Hexadienal SCHEMBL7747542 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1MAPK1TSHRCNR1
SCHEMBL6242251 0.82 TRPA1 (0.48) ALDH1A1TRPA1TSHRGAPDHIAPP
SCHEMBL13611712 0.82 ALDH1A1 (0.40) ALDH1A1TRPA1TSHRCNR1CNR2
SCHEMBL13611745 0.82 ALDH1A1 (0.40) ALDH1A1TRPA1TSHRCNR1CNR2
SCHEMBL13953154 0.82 ALDH1A1 (0.40) ALDH1A1TRPA1TSHRCNR1CNR2
SCHEMBL3504045 0.82
SCHEMBL319416 0.82
SCHEMBL319417 0.82
SCHEMBL3362126 0.80
SCHEMBL14385612 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001035768-A1 FLAVOR FRESHNESS ENHANCERS J.MANHEIMER, INC. (US) 2001-05-25 WO disclosed