Acetaldehyde

Acetaldehyde

SCHEMBL17106540

CC=O.CCCC(S)CCOC(C)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL5026819 0.93 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL5026818 0.93 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL112254 0.93 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRLMNAHSD17B10
Methane SCHEMBL28237192 0.91 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRLMNAHSD17B10
Acetic Acid SCHEMBL21408590 0.89 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL3244031 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL3244029 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL3244027 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL31053838 0.81 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL21408588 0.81 ALDH1A1 (0.38) ALDH1A1ALOX15TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180049960-A1 Methods And Compositions For Modifying Sensorial Perception PROCTER & GAMBLE (US) 2018-02-22 US disclosed
EP-3126831-A1 METHOD FOR SCREENING TRP CHANNELS The Procter & Gamble Company (US) 2017-02-08 EP disclosed
US-20160331659-A1 Methods And Compositions For Modifying Sensorial Perception PROCTER & GAMBLE (US) 2016-11-17 US disclosed
US-9427415-B2 Methods and compositions for modifying sensorial perception THE PROCTER & GAMBLE COMPANY (US) 2016-08-30 US disclosed
WO-2015153184-A1 METHOD FOR SCREENING TRP CHANNELS THE PROCTER & GAMBLE COMPANY (US) 2015-10-08 WO disclosed
US-20150272907-A1 Methods And Compositions For Modifying Sensorial Perception THE PROCTER & GAMBLE COMPANY 2015-10-01 US disclosed