⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2031105 | 0.85 | CCNC (0.33) | — | |
| SCHEMBL3143437 | 0.80 | — | — | |
| SCHEMBL14905891 | 0.80 | — | — | |
| SCHEMBL22771465 | 0.78 | — | — | |
| SCHEMBL27412666 | 0.78 | — | — | |
| SCHEMBL4062968 | 0.78 | — | — | |
| SCHEMBL29087151 | 0.78 | — | — | |
| SCHEMBL27685525 | 0.78 | AR (0.38) | — | |
| SCHEMBL2035470 | 0.78 | MAPK1 (0.35) | — | |
| SCHEMBL18068300 | 0.77 | AR (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021249566-A1 | BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF | 山东百极地长制药有限公司 | 2021-12-16 | — | — | WO | disclosed |
| EP-3214079-B1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | UNIV EAST CHINA SCIENCE & TECH (CN) | 2020-06-24 | — | — | EP | disclosed |
| US-10479798-B2 | Six-membered ring benzo derivatives as DPP-4 inhibitor and use thereof | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2019-11-19 | — | — | US | disclosed |
| US-20170313715-A1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2017-11-02 | — | — | US | disclosed |
| US-20170313715-A1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2017-11-02 | — | — | US | disclosed |
| EP-3214079-A1 | SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF | East China University Of Science And Technology (CN) | 2017-09-06 | — | — | EP | disclosed |
| EP-2485314-A1 | Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell | Mitsubishi Chemical Corporation (JP) | 2012-08-08 | — | — | EP | disclosed |
| US-8178246-B2 | Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-05-15 | — | — | US | disclosed |
| EP-2339684-A2 | Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds | Mitsubishi Chemical Corporation (JP) | 2011-06-29 | — | — | EP | disclosed |
| US-20090253048-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-10-08 | — | — | US | disclosed |
| WO-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |
| EP-1890357-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND | Mitsubishi Chemical Corporation (JP) | 2008-02-20 | — | — | EP | disclosed |