⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2343690 | 1.00 | — | — | |
| SCHEMBL19155702 | 1.00 | — | — | |
| SCHEMBL12826108 | 1.00 | — | — | |
| SCHEMBL12211084 | 1.00 | — | — | |
| SCHEMBL23838437 | 0.83 | CA1 (0.37) | — | |
| SCHEMBL12450166 | 0.83 | — | — | |
| SCHEMBL16554048 | 0.83 | — | — | |
| SCHEMBL9445782 | 0.83 | — | — | |
| SCHEMBL17939427 | 0.83 | — | — | |
| SCHEMBL2344622 | 0.83 | CA1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230128137-A1 | BENZO FIVE-MEMBERED CYCLIC COMPOUND | MEDSHINE DISCOVERY INC. (CN) | 2023-04-27 | — | — | US | disclosed |
| US-8846737-B2 | Compound | STERIX LIMITED (GB) | 2014-09-30 | — | — | US | disclosed |
| US-8846737-B2 | Compound | STERIX LIMITED (GB) | 2014-09-30 | — | — | US | disclosed |
| US-20120238550-A1 | COMPOUND | UNIVERSITY OF BATH (GB) | 2012-09-20 | — | — | US | disclosed |