⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623 | 0.96 | — | — | |
| SCHEMBL2043535 | 0.96 | ACHE (0.50) | — | |
| SCHEMBL3895473 | 0.93 | — | — | |
| SCHEMBL3887809 | 0.93 | — | — | |
| SCHEMBL29278225 | 0.93 | — | — | |
| SCHEMBL11521189 | 0.93 | ACHE (0.47) | — | |
| SCHEMBL9714862 | 0.93 | — | — | |
| SCHEMBL19511576 | 0.93 | — | — | |
| SCHEMBL22190427 | 0.93 | — | — | |
| SCHEMBL3889659 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210206791-A1 | SELECTIVE METAL-MEDIATED ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2021-07-08 | — | — | US | disclosed |
| CN-108368142-B | Method for producing aromatic compound and palladium complex | 住友化学株式会社 | 2021-02-19 | — | — | CN | disclosed |
| US-20190055280-A1 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-21 | — | — | US | disclosed |
| EP-3169319-A2 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | Massachusetts Institute Of Technology (US) | 2017-05-24 | — | — | EP | disclosed |
| WO-2016011107-A2 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-21 | — | — | WO | disclosed |