⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13318485 | 0.69 | — | — | |
| SCHEMBL9925962 | 0.63 | — | — | |
| SCHEMBL56545 | 0.62 | — | — | |
| SCHEMBL10677407 | 0.61 | — | — | |
| SCHEMBL9934624 | 0.61 | — | — | |
| SCHEMBL11203291 | 0.57 | — | — | |
| SCHEMBL10644791 | 0.57 | — | — | |
| SCHEMBL8938 | 0.57 | — | — | |
| SCHEMBL7167813 | 0.57 | — | — | |
| SCHEMBL27497502 | 0.57 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776414-B | Bcl-2 protein inhibitor and preparation method and application thereof | 山东大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-114075187-A | Carbonyl pyrazole anti-tumor compound and preparation method and application thereof | 山东大学 | 2022-02-22 | — | — | CN | disclosed |
| WO-2021115188-A1 | HISTONE DEACETYLASE, AND PROTEASOME DUAL-TARGET INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 山东大学 | 2021-06-17 | — | — | WO | disclosed |
| CN-110950897-B | Histone deacetylase, protease double-target inhibitor, preparation method and application thereof | 山东大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-110950897-A | Histone deacetylase, protease double-target inhibitor, preparation method and application thereof | 山东大学 | 2020-04-03 | — | — | CN | disclosed |
| EP-2361903-A1 | Benzenoid ansamycin derivative | Kyowa Hakko Kirin Co., Ltd. (JP) | 2011-08-31 | — | — | EP | disclosed |
| US-7776849-B2 | Benzenoid ansamycin derivative | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20090048253-A1 | BENZENOID ANSAMYCIN DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-02-19 | — | — | US | disclosed |
| CN-101213178-A | Benzenoid ansamycin derivatives | KYOWA HAKKO KOGYO KK (JP) | 2008-07-02 | — | — | CN | disclosed |
| EP-1897871-A1 | BENZENOID ANSAMYCIN DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-03-12 | — | — | EP | disclosed |