⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3926906 | 1.00 | — | — | |
| SCHEMBL3917884 | 0.82 | SIGMAR1 (0.42) | — | |
| SCHEMBL3916745 | 0.77 | SIGMAR1 (0.41) | — | |
| SCHEMBL4190189 | 0.73 | — | — | |
| SCHEMBL13744122 | 0.68 | SIGMAR1 (0.53) | — | |
| SCHEMBL3919858 | 0.68 | SIGMAR1 (0.71) | — | |
| SCHEMBL11781822 | 0.67 | OPRD1 (0.44) | — | |
| SCHEMBL11742682 | 0.63 | HTR2A (0.38) | — | |
| SCHEMBL8485367 | 0.60 | ADRA2A (0.60) | — | |
| SCHEMBL8494118 | 0.60 | SIGMAR1 (0.84) | — |
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-A1 | SPIRO[BENZOPYRAN]OR SPIRO[BENZOFURAN]DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-03-25 | — | — | EP | disclosed |
| WO-2007121976-A1 | SPIRO[BENZOPYRAN] OR SPIRO[BENZOFURAN] DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2007-11-01 | — | — | WO | disclosed |