⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8345431 | 0.80 | — | — | |
| SCHEMBL4522775 | 0.76 | OPRM1 (0.40) | — | |
| SCHEMBL9252531 | 0.76 | — | — | |
| SCHEMBL9820569 | 0.73 | — | — | |
| SCHEMBL4871268 | 0.72 | — | — | |
| SCHEMBL8346354 | 0.71 | SIGMAR1 (0.40) | — | |
| Fumaric Acid SCHEMBL8866463 | 0.68 | SIGMAR1 (0.44) | — | |
| Maleic Acid SCHEMBL8866452 | 0.68 | SIGMAR1 (0.44) | — | |
| SCHEMBL19121379 | 0.64 | — | — | |
| SCHEMBL9279009 | 0.62 | OPRM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080306103-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH | 2008-12-11 | — | — | US | disclosed |
| US-7439251-B2 | Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2008-10-21 | — | — | US | disclosed |
| WO-2003092580-A2 | METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2003-11-13 | — | — | WO | disclosed |