⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL539 | 0.82 | — | — | |
| Phosphine SCHEMBL9585895 | 0.67 | — | — | |
| Helium SCHEMBL7035046 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL11594289 | 0.67 | — | — | |
| Fluoride SCHEMBL3084625 | 0.67 | — | — | |
| SCHEMBL23040651 | 0.67 | — | — | |
| SCHEMBL723481 | 0.67 | — | — | |
| SCHEMBL1396185 | 0.67 | — | — | |
| Fluoride SCHEMBL21955713 | 0.67 | — | — | |
| Water SCHEMBL562865 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714292-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | CAMBRIDGE NEUROSCIENCE INC (US) | 1996-10-09 | — | — | EP | disclosed |
| EP-0714292-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995000131-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) | 1995-01-05 | — | — | WO | disclosed |