⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17100413 | 0.79 | — | — | |
| SCHEMBL224868 | 0.75 | — | — | |
| SCHEMBL75988 | 0.75 | — | — | |
| SCHEMBL29374280 | 0.75 | — | — | |
| SCHEMBL177738 | 0.74 | — | — | |
| SCHEMBL30092807 | 0.74 | — | — | |
| SCHEMBL570970 | 0.72 | — | — | |
| SCHEMBL48338 | 0.72 | — | — | |
| SCHEMBL1968216 | 0.72 | — | — | |
| SCHEMBL11274862 | 0.72 | HSD17B10 (0.94) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013068434-A1 | PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-16 | — | — | WO | disclosed |
| US-7408067-B2 | Aza-cyclic compounds as modulators of acetylcholine receptors | MERCK + CO., INC. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20070054912-A1 | Modulators of acetylcholine receptors | ASTLES PETER C | 2007-03-08 | — | — | US | disclosed |
| US-7148236-B2 | Modulators of acetylcholine receptors | MERCK & CO., INC. (US) | 2006-12-12 | — | — | US | disclosed |
| US-20050182088-A1 | Modulators of acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2005-08-18 | — | — | US | disclosed |
| US-20050070520-A1 | Aza-cyclic compounds as modulators of acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2005-03-31 | — | — | US | disclosed |
| EP-1472248-A1 | MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-1467986-A1 | AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062224-A1 | AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062235-A1 | MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2003-07-31 | — | — | WO | disclosed |
| EP-0874818-B1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-05-21 | — | — | EP | disclosed |
| US-6316490-B1 | FOR THERAPY OF PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, DEMENTIA, CONTROLLING PAIN | MERCK & CO., INC. | 2001-11-13 | — | — | US | disclosed |
| EP-0874818-A1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997019059-A1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1997-05-29 | — | — | WO | disclosed |
| US-4163112-A | INSECTICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1979-07-31 | — | — | US | disclosed |