SCHEMBL28890244

SCHEMBL28890244

CCCC(Br)(Br)C(O)(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28995284 0.82 FDPS (0.33) FDPSESR1ESR2
SCHEMBL16970344 0.81 FDPS (0.36) FDPSESR1ESR2ALDH1A1
SCHEMBL11660123 0.73
SCHEMBL11086767 0.73
SCHEMBL4950890 0.73
SCHEMBL27273873 0.73
SCHEMBL28654244 0.71
SCHEMBL29253106 0.71
SCHEMBL28738173 0.69
SCHEMBL10575980 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
CN-111116410-A Preparation method of butanone oxime 浙江锦华新材料股份有限公司 2020-05-08 CN disclosed