⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12076433 | 0.80 | SIGMAR1 (0.66) | — | |
| SCHEMBL8111471 | 0.79 | SIGMAR1 (0.65) | — | |
| SCHEMBL3016213 | 0.79 | — | — | |
| SCHEMBL8103039 | 0.79 | — | — | |
| SCHEMBL3025085 | 0.79 | SIGMAR1 (0.72) | — | |
| SCHEMBL13246645 | 0.79 | SIGMAR1 (0.70) | — | |
| SCHEMBL3019948 | 0.78 | SIGMAR1 (0.75) | — | |
| SCHEMBL3024331 | 0.78 | SIGMAR1 (0.77) | — | |
| SCHEMBL8103010 | 0.77 | — | — | |
| SCHEMBL3024588 | 0.77 | SIGMAR1 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100190813-A1 | SPIRO [PIPERIDINE-4- 4' -THIENO [3,2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS | OBERDORF CHRISTOPH | 2010-07-29 | — | — | US | disclosed |