SCHEMBL30849508

SCHEMBL30849508

CCCCN1C(C)=C(C)N(CCC)C1C.N#C[B-](C#N)(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30849507 1.00 TP53 (0.33) TP53GAA
SCHEMBL30849514 0.92 TP53 (0.33) TP53GAA
SCHEMBL30849503 0.88
SCHEMBL31468712 0.87 GBA1 (0.34)
SCHEMBL30849513 0.80
SCHEMBL30849512 0.74 GAA (0.35) TP53GAA
Hydrochloric Acid SCHEMBL6765136 0.71 GAA (0.44) TP53GAA
SCHEMBL30849511 0.70
SCHEMBL30849505 0.68
SCHEMBL28987920 0.66 GBA1 (0.41) TP53GAA

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-117861394-A Ionic liquid for capturing carbon dioxide 中集安瑞科工程科技有限公司 2024-04-12 CN disclosed