⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19616989 | 0.72 | — | — | |
| SCHEMBL9974851 | 0.65 | — | — | |
| SCHEMBL24642919 | 0.61 | — | — | |
| SCHEMBL981790 | 0.60 | — | — | |
| Water SCHEMBL10814803 | 0.58 | — | — | |
| SCHEMBL12802250 | 0.56 | — | — | |
| SCHEMBL1278075 | 0.53 | — | — | |
| SCHEMBL6202978 | 0.53 | — | — | |
| SCHEMBL14510756 | 0.52 | — | — | |
| SCHEMBL8264560 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493852-A1 | 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011053706-A1 | 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |