Propionaldehyde

Propionaldehyde

SCHEMBL28037797

CC(O)C1CCCO1.CCC=O

nearest known ligand 0.36

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 4/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1499862 0.84
SCHEMBL24271678 0.84
Propionaldehyde SCHEMBL28037769 0.84 ALDH1A1 (0.33) HPGDALDH1A1L3MBTL1KMT2AGAA
Propionaldehyde SCHEMBL28038117 0.83 ALDH1A1 (0.33) HPGDALDH1A1L3MBTL1KMT2AGAA
Propanol SCHEMBL28037773 0.81 ALDH1A1 (0.35) HPGDALDH1A1L3MBTL1KMT2AGAA
SCHEMBL18840273 0.78
SCHEMBL29017460 0.78
SCHEMBL843875 0.73
SCHEMBL1579635 0.71
SCHEMBL1579633 0.71

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
CN-105130731-A Method for preparing long-chain alkane from biomass derivativeS 5-HMF (hydroxymethyl furfural) or furaldehyde HEFEI LEAF BIO TECH CO LTD 2015-12-09 CN disclosed