SCHEMBL28337003

SCHEMBL28337003

COc1ccccc1P.COc1ccccc1P.COc1ccccc1P.[Pd]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ CA7 P43166 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ CA12 O43570 1/20 0.60
▸ CA4 P22748 1/20 0.60
▸ CA14 Q9ULX7 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ APP P05067 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43

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
SCHEMBL28060763 1.00 CA1 (0.60) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL28392711 0.97 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL29474371 0.97 — —
SCHEMBL981070 0.97 — —
Water SCHEMBL28319675 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL17580360 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Bromide SCHEMBL29193824 0.95 CA1 (0.60) CA1CA2CA7CA9CA12
Propane SCHEMBL28143844 0.90 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL28392710 0.88 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL13144640 0.79 CA1 (0.52) CA1CA2CA7CA9CA12

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
CN-110574497-A Composition and light-emitting element using same 住友化学株式会社 2019-12-13 — — CN disclosed
CN-110547049-A Composition and light-emitting element using same SUMITOMO CHEMICAL CO 2019-12-06 — — CN disclosed
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