⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1776398 | 0.67 | — | — | |
| SCHEMBL12658964 | 0.67 | — | — | |
| SCHEMBL12659894 | 0.67 | — | — | |
| SCHEMBL12332848 | 0.67 | — | — | |
| SCHEMBL14609249 | 0.65 | — | — | |
| SCHEMBL19368817 | 0.65 | — | — | |
| SCHEMBL7366205 | 0.63 | — | — | |
| SCHEMBL18812002 | 0.58 | — | — | |
| SCHEMBL13748655 | 0.52 | — | — | |
| SCHEMBL1937335 | 0.47 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021238908-A1 | SALT AND CRYSTAL FORM OF HETEROARYL DERIVATIVE, AND PREPARATION METHOD THEREFOR | 上海翰森生物医药科技有限公司 | 2021-12-02 | — | — | WO | disclosed |
| US-8268803-B2 | 5, 6-ring annulated indole derivatives and use thereof | MERCK SHARP & DOHME CORP. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100322901-A1 | 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION | 2010-12-23 | — | — | US | disclosed |
| WO-2008082484-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |