SCHEMBL23570765

SCHEMBL23570765

C=C/C=C\C(=C/C)B(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.32
▸ ORAI2 Q96SN7 1/20 0.32
▸ ORAI3 Q9BRQ5 1/20 0.32
▸ TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL19772388 0.84 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL21148081 0.80 ORAI1 (0.37) CA4CA6CA5ACA7ENPP2
SCHEMBL14923047 0.76 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL21778882 0.76 — —
SCHEMBL23219892 0.73 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL23026435 0.71 CA4 (0.30) CA4CA6CA5ACA7ENPP2
SCHEMBL18627800 0.67 AKT1 (0.39) —
SCHEMBL14597261 0.67 CA4 (0.37) CA4
SCHEMBL12319486 0.66 — —
SCHEMBL2553036 0.66 AKT1 (0.41) —

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
WO-2023163001-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-31 — — WO disclosed
WO-2021125011-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOSITION FOR FORMING HOLE TRANSPORT LAYER OR HOLE INJECTION LAYER, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL ILLUMINATOR 三菱ケミカル株式会社 2021-06-24 — — WO disclosed
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