⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2914663 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL8866126 | 0.67 | — | — | |
| SCHEMBL28187140 | 0.66 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL5492705 | 0.62 | — | — | |
| SCHEMBL3379430 | 0.60 | — | — | |
| SCHEMBL297497 | 0.60 | — | — | |
| SCHEMBL3791139 | 0.60 | — | — | |
| SCHEMBL298184 | 0.60 | POLB (0.31) | — | |
| Bromide SCHEMBL9390081 | 0.60 | — | — | |
| Iodide SCHEMBL8374346 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5604224-A | NEURODEGENERATIVE DISORDERS | STERLING WINTHROP INC. (US) | 1997-02-18 | — | — | US | disclosed |
| US-5569655-A | Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1996-10-29 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0647641-A1 | Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof | STERLING WINTHROP INC. (US) | 1995-04-12 | — | — | EP | disclosed |