⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18617912 | 0.88 | NR1H2 (0.34) | — | |
| SCHEMBL29450323 | 0.88 | NR1H2 (0.34) | — | |
| SCHEMBL3589428 | 0.79 | CXCR2 (0.32) | — | |
| SCHEMBL3598479 | 0.79 | CXCR2 (0.32) | — | |
| SCHEMBL19874447 | 0.78 | GPER1 (0.32) | — | |
| SCHEMBL19874448 | 0.78 | GPER1 (0.32) | — | |
| SCHEMBL13933933 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL31503756 | 0.72 | PTPN1 (0.34) | — | |
| SCHEMBL12837663 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL4548487 | 0.71 | DRD2 (0.32) | — |
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 8 patents. 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 |
| EP-4086249-A2 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | Trevena, Inc. (US) | 2022-11-09 | — | — | EP | disclosed |
| US-20200231564-A9 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | TREVENA, INC. | 2020-07-23 | — | — | US | disclosed |
| US-20190202803-A1 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | TREVENA INC (US) | 2019-07-04 | — | — | US | disclosed |
| US-10246436-B2 | 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same | TREVENA, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| EP-3344248-A1 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | Trevena, Inc. (US) | 2018-07-11 | — | — | EP | disclosed |
| US-20170210725-A1 | 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME | TREVENA, INC. | 2017-07-27 | — | — | US | disclosed |
| 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 |