⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25681729 | 0.77 | — | — | |
| SCHEMBL14571345 | 0.71 | DPP4 (0.42) | — | |
| SCHEMBL25054844 | 0.70 | DPP4 (0.49) | — | |
| SCHEMBL8093802 | 0.70 | DPP4 (0.45) | — | |
| SCHEMBL13248694 | 0.70 | DPP4 (0.49) | — | |
| SCHEMBL15335279 | 0.69 | FAP (0.63) | — | |
| SCHEMBL13371725 | 0.65 | DPP4 (0.47) | — | |
| SCHEMBL13456720 | 0.65 | — | — | |
| SCHEMBL20939371 | 0.65 | CHRM2 (0.47) | — | |
| SCHEMBL487464 | 0.65 | — | — |
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 9 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 |
| US-20170028080-A1 | Targeted Drug Conjugates | PHILOCHEM AG (CH) | 2017-02-02 | — | — | US | disclosed |
| US-20150202218-A1 | Broad Spectrum Inhibitors of the Post Proline Cleaving Enzymes for Treatment of Hepatitis C Virus Infections | TRUSTEES OF TUFTS COLLEGE | 2015-07-23 | — | — | US | disclosed |
| US-20060063719-A1 | Methods for treating diabetes | POINT THERAPEUTICS, INC. (US) | 2006-03-23 | — | — | US | disclosed |