⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4527993 | 0.78 | — | — | |
| SCHEMBL4519958 | 0.78 | — | — | |
| SCHEMBL4523906 | 0.75 | — | — | |
| SCHEMBL22787208 | 0.69 | — | — | |
| SCHEMBL4510597 | 0.69 | — | — | |
| SCHEMBL16939953 | 0.69 | — | — | |
| SCHEMBL10795359 | 0.65 | — | — | |
| SCHEMBL23172671 | 0.64 | — | — | |
| SCHEMBL7376358 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL6631181 | 0.59 | ALDH1A1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023066292-A1 | TRICYCLIC BORONIC ACID DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海济煜医药科技有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2020041417-A1 | CYCLOALKYL-CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2020-02-27 | — | — | WO | disclosed |
| US-7504432-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-03-17 | — | — | US | disclosed |
| US-20070129397-A1 | Ester derivatives | MSD K.K. (JP) | 2007-06-07 | — | — | US | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |