SCHEMBL28192749

SCHEMBL28192749

C=Cc1ccc(CC(CCC)n2ccnc2)cc1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 16/20 0.48
▸ CYP17A1 P05093 4/20 0.40

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
SCHEMBL27831290 0.95 CYP19A1 (0.49) CYP19A1CYP17A1
Boric Acid SCHEMBL27962835 0.91 CYP19A1 (0.45) CYP19A1CYP17A1
SCHEMBL27807429 0.78 CYP19A1 (0.67) CYP19A1CYP17A1
SCHEMBL23301136 0.77 CYP19A1 (0.44) CYP19A1CYP17A1
SCHEMBL28243670 0.77 CYP17A1 (0.41) CYP19A1CYP17A1
Bromide SCHEMBL28376646 0.76 CYP19A1 (0.43) CYP19A1CYP17A1
SCHEMBL28178686 0.75 CYP19A1 (0.44) CYP19A1CYP17A1
SCHEMBL27670698 0.74 CYP17A1 (0.46) CYP19A1CYP17A1
SCHEMBL5273581 0.73 CYP19A1 (0.46) CYP19A1CYP17A1
Styrene SCHEMBL28020125 0.71 CYP17A1 (0.50) CYP19A1CYP17A1

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-104610486-B A kind of super cross-linked polymer of ion liquid functionalization and preparation method and application 杭州锐沃科技有限公司 2017-12-15 — — CN disclosed
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