⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1683820 | 0.64 | — | — | |
| SCHEMBL5549586 | 0.57 | — | — | |
| SCHEMBL19437196 | 0.56 | — | — | |
| SCHEMBL31452206 | 0.55 | — | — | |
| SCHEMBL2399075 | 0.55 | — | — | |
| SCHEMBL17738888 | 0.55 | — | — | |
| SCHEMBL806500 | 0.54 | — | — | |
| SCHEMBL19204858 | 0.54 | — | — | |
| SCHEMBL10356905 | 0.53 | — | — | |
| SCHEMBL10146510 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017040545-A1 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | TREVENA, INC. (US) | 2017-03-09 | — | — | WO | disclosed |