SCHEMBL3898772

SCHEMBL3898772

Cc1ccc(S(=O)(=O)Cl)c(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 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
SCHEMBL3904667 0.95 ACHE (0.32) ACHE
SCHEMBL3907421 0.84 L3MBTL1 (0.36) ACHE
Trifluoromethanesulfonic Acid SCHEMBL38664470 0.82 ACHE (0.34) ACHE
SCHEMBL3896152 0.82 PLA2G2A (0.34) ACHE
SCHEMBL31163698 0.81 ALDH1A1 (0.40)
SCHEMBL6992915 0.79 KMT2A (0.39)
SCHEMBL3907883 0.78 ACHE (0.35) ACHE
SCHEMBL6177768 0.78 KDM4E (0.30)
SCHEMBL6989336 0.78 KMT2A (0.42)
Trifluoromethanesulfonic Acid SCHEMBL6256435 0.77 KCNH2 (0.39) ACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed