Butadiene Epoxide

Butadiene Epoxide

SCHEMBL6005693

C=CC(CO)OC.C=CC1CO1

nearest known ligand 0.46

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL706106 0.80
SCHEMBL9491619 0.80
SCHEMBL18414215 0.80
Butadiene Epoxide SCHEMBL6067380 0.75 TDP1 (0.56) TDP1
SCHEMBL13392813 0.73 TDP1 (0.36) TDP1
SCHEMBL10419855 0.70 EPHX1 (0.31)
Butadiene Epoxide SCHEMBL39877 0.68
Butadiene Epoxide SCHEMBL335040 0.68
SCHEMBL7637416 0.67 ALDH1A1 (0.42)
Butadiene Epoxide SCHEMBL10496505 0.66

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-1682555-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-07-26 EP disclosed
WO-2005047294-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-05-26 WO disclosed