⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19483224 | 0.77 | — | — | |
| SCHEMBL13620340 | 0.71 | — | — | |
| SCHEMBL19262323 | 0.71 | — | — | |
| SCHEMBL4233059 | 0.69 | — | — | |
| SCHEMBL23770296 | 0.69 | — | — | |
| SCHEMBL31331563 | 0.69 | — | — | |
| SCHEMBL51411 | 0.65 | — | — | |
| SCHEMBL5565075 | 0.63 | — | — | |
| SCHEMBL17183320 | 0.63 | — | — | |
| SCHEMBL28069053 | 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-1888596-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122770-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | disclosed |