Acrolein

Acrolein

SCHEMBL4626653

C=CC=O.CC#N.CC(C)=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
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
Acrolein SCHEMBL28494259 0.88
Acrolein SCHEMBL6258972 0.85
Acrylic Acid SCHEMBL7784601 0.80 LMNA (0.46) ALDH1A1TRPA1TSHRLMNA
Acrylonitrile SCHEMBL27932458 0.80 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1
Acetone SCHEMBL304990 0.78
Acetone SCHEMBL641922 0.78
Acetone SCHEMBL27552921 0.78 LMNA (0.55) ALDH1A1TSHRLMNATDP1
Acrolein SCHEMBL11802967 0.78
Acetone SCHEMBL185048 0.77 LMNA (0.38) LMNA
Acetone SCHEMBL27655476 0.77 TSHR (0.38) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723224-A4 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF TROXLER ELECTRONICS LAB INC (US) 2008-02-27 EP disclosed
EP-1723224-A2 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF Troxler Electronics Laboratories, Inc. (US) 2006-11-22 EP disclosed
WO-2005091771-A2 SOLVENT COMPOSITIONS FOR REMOVING PETROLEUM RESIDUE FROM A SUBSTRATE AND METHODS OF USE THEREOF TROXLER ELECTRONICS LABORATORIES, INC. (US) 2005-10-06 WO disclosed