SCHEMBL28682804

SCHEMBL28682804

CC(=O)C#N.F[P-](F)(F)(F)(F)F.[Cu+]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL242413 0.83
SCHEMBL6181820 0.83
Water SCHEMBL29518359 0.83
Hydrochloric Acid SCHEMBL7225747 0.76 TDP1 (0.41) TDP1
Dimethylamine SCHEMBL28023091 0.73
Trifluoroacetic Acid SCHEMBL15389813 0.71 ALDH1A1 (0.33) TDP1
Acetone SCHEMBL28418241 0.68 LMNA (0.55) TDP1
Acetonitrile SCHEMBL28393965 0.68
Acetonitrile SCHEMBL22557409 0.68
Acetone SCHEMBL22288211 0.68 LMNA (0.55) TDP1

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-112079684-B Pillar aromatic hydrocarbon and pillar-like aromatic hydrocarbon compound with aggregation-induced emission effect and preparation method and application thereof 南京航空航天大学 2022-02-08 CN disclosed