⚠ 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL8866956 | 1.00 | — | — | |
| SCHEMBL1326631 | 0.95 | — | — | |
| Maleic Acid SCHEMBL9698742 | 0.90 | — | — | |
| Maleic Acid SCHEMBL8867958 | 0.90 | — | — | |
| Fumaric Acid SCHEMBL8867969 | 0.90 | — | — | |
| Fumaric Acid SCHEMBL8866982 | 0.85 | — | — | |
| Fumaric Acid SCHEMBL8866989 | 0.85 | — | — | |
| Fumaric Acid SCHEMBL8866997 | 0.85 | — | — | |
| SCHEMBL8867835 | 0.83 | — | — | |
| SCHEMBL8866960 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5594000-A | THAT STIMULATE CENTRAL MUSCARINIC ACETYLCHOLINE RECEPTORS, ANALGESICS, NERVOUS SYSTEM DISORDERS, MENTAL ILLNESS | ASTRA AB (SE) | 1997-01-14 | — | — | US | claimed |
| EP-0491562-A1 | Novel spirofurane derivatives | FISONS CORPORATION (US) | 1992-06-24 | — | — | EP | claimed |