SCHEMBL8915520

SCHEMBL8915520

C=CC(=O)C(C=CC#N)=C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8514942 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL268085 0.69
Acrylic Acid SCHEMBL16468074 0.69 LMNA (0.50) ALDH1A1
Acrylonitrile SCHEMBL27559581 0.68 ALDH1A1 (0.39) ALDH1A1
Butadiene SCHEMBL9244822 0.68
Methacrylic Acid SCHEMBL7602994 0.68 TSHR (0.33) ALDH1A1
SCHEMBL277994 0.68 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8664423 0.68 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9724880 0.68
SCHEMBL3367193 0.67

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
US-5683815-A ELASTOMER MODIFIED ACRYLONITRILE-STYRENE-ACRYLIC ESTER TERPOLYMER AND PLASTICIZER BENECKE-KALIKO AG (DE) 1997-11-04 US disclosed