⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4186905 | 1.00 | — | — | |
| SCHEMBL8484591 | 1.00 | — | — | |
| SCHEMBL8477144 | 1.00 | — | — | |
| SCHEMBL4323053 | 0.96 | — | — | |
| SCHEMBL4191289 | 0.96 | — | — | |
| SCHEMBL8473494 | 0.96 | — | — | |
| SCHEMBL8473828 | 0.96 | — | — | |
| SCHEMBL5268819 | 0.96 | — | — | |
| SCHEMBL8475042 | 0.96 | — | — | |
| SCHEMBL4184105 | 0.96 | — | — |
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-2038287-B1 | SPIRO[BENZOPYRAN]OR SPIRO[BENZOFURAN]DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR | ESTEVE LABOR DR (ES) | 2012-12-26 | — | — | EP | disclosed |
| US-20090209568-A1 | Spiro [Benzopyran] or Spiro [Benzofuran] Derivatives Which Inhibit the Sigma Receptor | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2009-08-20 | — | — | US | disclosed |