SCHEMBL29623928

SCHEMBL29623928

Cn1cc[n+](-c2ccccc2)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
INMT O95050 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
SCHEMBL666882 0.92 BCHE (0.37) BCHEACHEINMT
Hydrochloric Acid SCHEMBL384461 0.90 BCHE (0.36) BCHEACHEINMT
Iodide SCHEMBL3820103 0.90 BCHE (0.36) BCHEACHEINMT
Bromide SCHEMBL20531183 0.90 BCHE (0.36) BCHEACHEINMT
SCHEMBL384826 0.89 ACHE (0.33) BCHEACHE
SCHEMBL3628120 0.85 BCHE (0.32) BCHEACHE
Phosphoric Acid SCHEMBL20531175 0.81 TSHR (0.33) BCHEACHE
Phosphoric Acid SCHEMBL20531176 0.81 CA2 (0.33) BCHEACHE
Cyanate SCHEMBL29623811 0.81 BCHE (0.32) BCHEACHE
Acetic Acid SCHEMBL20531174 0.80 SMN1; SMN2 (0.34) BCHEACHE

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
WO-2022118948-A1 METHOD FOR VISUALIZING GAPS IN SAMPLE 国立研究開発法人海洋研究開発機構 2022-06-09 WO disclosed