SCHEMBL28578317

SCHEMBL28578317

O=C1CCCC(=O)C1F.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
CRBN Q96SW2 1/20 0.32
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL28564764 0.97
SCHEMBL28913566 0.94 CA1 (0.36) CA1CA2CA4KMT2ACRBN
SCHEMBL10035482 0.69
SCHEMBL11406149 0.67
SCHEMBL25392652 0.65
SCHEMBL22032676 0.65
SCHEMBL611774 0.65
SCHEMBL11782120 0.65
SCHEMBL280398 0.65
SCHEMBL10882169 0.65

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-109232215-B Purification method of 2-fluoro-1, 3-cyclohexanedione 上海睿腾医药科技有限公司 2021-05-28 CN disclosed