⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6205711 | 0.78 | — | — | |
| SCHEMBL8426450 | 0.59 | CA1 (0.30) | — | |
| SCHEMBL6206936 | 0.57 | — | — | |
| SCHEMBL7406044 | 0.55 | — | — | |
| SCHEMBL31397047 | 0.48 | TRPV4 (0.39) | — | |
| SCHEMBL651902 | 0.48 | ALDH1A1 (0.71) | — | |
| SCHEMBL218559 | 0.48 | ALDH1A1 (0.53) | — | |
| Dioxane SCHEMBL4303266 | 0.47 | TTR (0.43) | — | |
| SCHEMBL4432240 | 0.46 | — | — | |
| SCHEMBL3128058 | 0.46 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230099912-A1 | BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2023-03-30 | — | — | US | disclosed |
| EP-3747866-B1 | BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF | INST MATERIA MEDICA CAMS (CN) | 2023-03-01 | — | — | EP | disclosed |
| CN-111285806-B | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |
| CN-110092743-B | Benzamide compound, preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2022-03-15 | — | — | CN | disclosed |
| CN-113582889-A | Sulfonylureas and related compounds and uses thereof | 昆士兰大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-113563264-A | Sulfonylureas and related compounds and uses thereof | 昆士兰大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-107428696-B | Sulfonylureas and related compounds and uses thereof | 昆士兰大学 | 2021-08-20 | — | — | CN | disclosed |
| US-20210047270-A1 | BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2021-02-18 | — | — | US | disclosed |
| EP-3747866-A1 | BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2020-12-09 | — | — | EP | disclosed |
| CN-111285806-A | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2020-06-16 | — | — | CN | disclosed |
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | disclosed |
| EP-1159278-A2 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000047551-A2 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-08-17 | — | — | WO | disclosed |
| US-5962682-A | Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists | HOFFMANN-LA ROCHE INC. (US) | 1999-10-05 | — | — | US | disclosed |
| US-5958910-A | Use of N-(4-aryl-thiazol-2-yl)-sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5877193-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-02 | — | — | US | disclosed |