SCHEMBL28870858

SCHEMBL28870858

CCCC1=CC=CC(O)(O)C1C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 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
SCHEMBL31243577 0.63 CYP3A4 (0.44) CYP3A4
SCHEMBL29019797 0.61
SCHEMBL31634230 0.60
SCHEMBL11095435 0.59
SCHEMBL21707532 0.59
SCHEMBL3945391 0.58 L3MBTL1 (0.30)
SCHEMBL29184040 0.58 CYP3A4 (0.30) CYP3A4
SCHEMBL28022317 0.56
SCHEMBL23104819 0.55 MAOA (0.31)
SCHEMBL6915285 0.54

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-106065009-B Application as the compound of hepatitis c inhibitor and its in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed