⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1327666 | 0.90 | — | — | |
| SCHEMBL1550459 | 0.84 | — | — | |
| SCHEMBL7452334 | 0.81 | ADH1B (0.39) | — | |
| SCHEMBL9219356 | 0.78 | — | — | |
| SCHEMBL3539092 | 0.78 | — | — | |
| SCHEMBL3539090 | 0.78 | — | — | |
| SCHEMBL31379809 | 0.77 | — | — | |
| SCHEMBL14332362 | 0.65 | — | — | |
| SCHEMBL13763592 | 0.63 | — | — | |
| SCHEMBL4297297 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644373-A1 | TRICYCLIC DELTA OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005003131-A1 | TRICYCLIC DELTA OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-13 | — | — | WO | disclosed |