⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25669006 | 0.77 | — | — | |
| SCHEMBL2016623 | 0.75 | — | — | |
| SCHEMBL29699358 | 0.75 | — | — | |
| SCHEMBL5019591 | 0.75 | — | — | |
| SCHEMBL2610402 | 0.75 | — | — | |
| SCHEMBL25353461 | 0.71 | — | — | |
| SCHEMBL10076714 | 0.71 | — | — | |
| SCHEMBL18985908 | 0.71 | — | — | |
| SCHEMBL22445300 | 0.71 | — | — | |
| SCHEMBL359435 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022012409-A1 | ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉朗来科技发展有限公司 | 2022-01-20 | — | — | WO | disclosed |
| WO-2012083122-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |