Acetaldehyde

Acetaldehyde

SCHEMBL27200280

C=C(C)c1ccncc1.CC=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL610553 0.89
Hydrochloric Acid SCHEMBL1734355 0.86 NAPRT (0.44) L3MBTL1NAPRTTP53HTTALDH1A1
Acetaldehyde SCHEMBL5163139 0.77 CES2 (0.44) NAPRTALDH1A1SMN1; SMN2MEN1KMT2A
Isonicotinic Acid SCHEMBL27576907 0.76 NAPRT (0.77) L3MBTL1NAPRTTP53HTTALDH1A1
SCHEMBL10066584 0.76 MAPT (0.50) SMN1; SMN2MEN1KMT2ACYP3A4LMNA
SCHEMBL19836782 0.74 HTT (0.40) L3MBTL1NAPRTTP53HTTALDH1A1
Acetaldehyde SCHEMBL17180561 0.74 CYP2A6 (0.42) L3MBTL1HTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL6936926 0.73 NAPRT (0.46) L3MBTL1NAPRTTP53HTTALDH1A1
SCHEMBL7559764 0.72 NAPRT (0.44) L3MBTL1NAPRTTP53HTTALDH1A1
SCHEMBL14346009 0.72 NAPRT (0.44) L3MBTL1NAPRTTP53HTTALDH1A1

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
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed