⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804652 | 0.70 | — | — | |
| SCHEMBL6876381 | 0.69 | — | — | |
| SCHEMBL13729390 | 0.68 | FFAR3 (0.35) | — | |
| SCHEMBL8139898 | 0.65 | — | — | |
| SCHEMBL786087 | 0.65 | — | — | |
| SCHEMBL804785 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL636022 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL18881296 | 0.65 | — | — | |
| SCHEMBL23173839 | 0.63 | CA12 (0.46) | — | |
| SCHEMBL6864014 | 0.63 | DHFR (0.31) | — |
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-2021047553-A1 | AROMATIC HETEROCYCLIC COMPOUND HAVING TRICYCLIC STRUCTURE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |
| EP-2970335-B1 | MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES INC (US) | 2019-05-08 | — | — | EP | disclosed |
| US-8349869-B2 | Macrocylic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2013-01-08 | — | — | US | disclosed |
| US-20120171157-A1 | Macrocyclic Inhibitors Of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2012-07-05 | — | — | US | disclosed |