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Acetaldehyde

Acetaldehyde

SCHEMBL7738259

C=C(C)C(=O)OOC(C)=O.CC=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ THRB P10828 1/20 0.33

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
SCHEMBL3671288 0.90 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL2215339 0.82 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
Phosphoric Acid SCHEMBL10797386 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB
Ethylene Glycol SCHEMBL28395298 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10THRB
Acetaldehyde SCHEMBL5465665 0.79 HSD17B10 (0.34) ALDH1A1TDP1HSD17B10
SCHEMBL29137389 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL29011420 0.74 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28888840 0.74 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL10789486 0.73 — —
SCHEMBL22493864 0.72 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSD17B10THRB

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-6429251-B2 AQUEOUS POLYMER DISPERSION WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2002-08-06 — — US disclosed
US-20010025078-A1 Polyvinyl alcohol-stabilized 1,3-diene/ (meth)acrylate copolymers WACKER POLYMER SYSTEMS GMBH & CO. KG 2001-09-27 — — US disclosed