⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1387973 | 0.84 | — | — | |
| SCHEMBL1388119 | 0.84 | — | — | |
| SCHEMBL1387566 | 0.83 | MAPT (0.53) | — | |
| SCHEMBL1388072 | 0.83 | — | — | |
| SCHEMBL1387400 | 0.83 | — | — | |
| SCHEMBL1388312 | 0.82 | NTRK1 (0.43) | — | |
| SCHEMBL1387813 | 0.82 | PDE2A (0.43) | — | |
| SCHEMBL1388045 | 0.82 | — | — | |
| SCHEMBL1387540 | 0.81 | PDE2A (0.42) | — | |
| SCHEMBL7848141 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1161238-A1 | AMYOTROPIC LATERAL SCLEROSIS TREATMENT WITH A COMBINATION OF RILUZOLE AND AN AMPA RECEPTOR ANTAGONIST | Aventis Pharma S.A. (FR) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000054772-A1 | AMYOTROPIC LATERAL SCLEROSIS TREATMENT WITH A COMBINATION OF RILUZOLE AND AN AMPA RECEPTOR ANTAGONIST | AVENTIS PHARMA S.A. (FR) | 2000-09-21 | — | — | WO | disclosed |