SCHEMBL28993278

SCHEMBL28993278

Br[Ni]Br.COCCOCCOC.COCCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3140351 1.00 CA2 (0.38) CA2MEN1KMT2A
SCHEMBL198425 0.89
SCHEMBL5668460 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL10835191 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL14920 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL23647292 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL125676 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL125032 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL299301 0.86 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL11219700 0.86 CA2 (0.44) CA2MEN1KMT2A

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-116023401-A Preparation method of chiral borate compound 同济大学 2023-04-28 CN disclosed