⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3923591 | 0.96 | — | — | |
| SCHEMBL3926906 | 0.96 | — | — | |
| SCHEMBL3917884 | 0.83 | SIGMAR1 (0.42) | — | |
| SCHEMBL4190189 | 0.72 | — | — | |
| SCHEMBL3916745 | 0.72 | SIGMAR1 (0.41) | — | |
| SCHEMBL13744122 | 0.70 | SIGMAR1 (0.53) | — | |
| SCHEMBL3995859 | 0.69 | SIGMAR1 (0.71) | — | |
| SCHEMBL3919858 | 0.69 | SIGMAR1 (0.71) | — | |
| SCHEMBL11781822 | 0.69 | OPRD1 (0.44) | — | |
| SCHEMBL11742682 | 0.65 | HTR2A (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1847542-A1 | Spiro[benzopyran] or spiro[benzofuran] derivatives which inhibit the sigma receptor | Laboratorios del Dr. Esteve S.A. (ES) | 2007-10-24 | — | — | EP | disclosed |