SCHEMBL5281875

SCHEMBL5281875

CC(=O)OCCCC[n+]1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.50
ACHE P22303 6/20 0.50

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
SCHEMBL7074344 0.98 BCHE (0.54) BCHEACHE
SCHEMBL20066354 0.98 BCHE (0.54) BCHEACHE
Iodide SCHEMBL3774348 0.98 BCHE (0.48) BCHEACHE
SCHEMBL9543168 0.86 ALDH1A1 (0.42) BCHEACHE
Hydrochloric Acid SCHEMBL11428687 0.85 ALDH1A1 (0.44) BCHEACHE
Bromide SCHEMBL9463871 0.85 ACHE (0.41) BCHEACHE
Hydrochloric Acid SCHEMBL28785382 0.83 TSHR (0.53) BCHEACHE
SCHEMBL9586225 0.82 NAAA (0.52) BCHEACHE
SCHEMBL5275740 0.82 HTT (0.50)
Hydrochloric Acid SCHEMBL7055391 0.82 TSHR (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320571-B1 3-SPIRO-CYANIN FLUOROCHROMES AND THEIR USE IN BIOASSAYS ICB INST FUER CHEMO UND BIOSEN (DE) 2007-11-21 EP disclosed
EP-1320571-A1 3-SPIRO-CYANIN FLUOROCHROMES AND THEIR USE IN BIOASSAYS INSTITUT FÜR CHEMO- UND BIOSENSORIK Münster e.V. (DE) 2003-06-25 EP disclosed
WO-2002026890-A1 3-SPIRO-CYANIN FLUOROCHROMES AND THEIR USE IN BIOASSAYS Institut für Chemo- und Biosensorik Münster E.V. (DE) 2002-04-04 WO disclosed