⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22875373 | 0.73 | L3MBTL1 (0.31) | — | |
| SCHEMBL24895973 | 0.73 | — | — | |
| SCHEMBL22549570 | 0.70 | L3MBTL1 (0.31) | — | |
| SCHEMBL24171462 | 0.66 | — | — | |
| SCHEMBL19497533 | 0.66 | — | — | |
| SCHEMBL27327419 | 0.66 | — | — | |
| SCHEMBL25977921 | 0.64 | — | — | |
| SCHEMBL13682468 | 0.63 | L3MBTL1 (0.31) | — | |
| SCHEMBL12757809 | 0.63 | — | — | |
| SCHEMBL18810537 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203002-A1 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | TREVENA, INC. | 2023-06-29 | — | — | US | disclosed |