SCHEMBL11296884

SCHEMBL11296884

CC=C(C)C(=O)OC(O)=CCC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5167976 0.83 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL472709 0.79 ALDH1A1 (0.39) FFAR3ALDH1A1TDP1
SCHEMBL472712 0.79 ALDH1A1 (0.39) FFAR3ALDH1A1TDP1
SCHEMBL11750691 0.78
SCHEMBL11296165 0.78
SCHEMBL10825002 0.75 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
SCHEMBL5317265 0.75 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
SCHEMBL1230601 0.74 FFAR3 (0.33) FFAR3ALDH1A1TDP1
SCHEMBL84207 0.74 FFAR3 (0.32) FFAR3
SCHEMBL432665 0.74 ALDH1A1 (0.39) ALDH1A1TDP1

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-0007008-B1 PROCESS FOR THE PREPARATION OF HALOGENOBUTENYL ACRYLATES BAYER AG (DE) 1982-01-06 EP disclosed
EP-0007008-A1 Process for the preparation of halogenobutenyl acrylates BAYER AG (DE) 1980-01-23 EP disclosed