⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20134670 | 0.70 | — | — | |
| SCHEMBL9815757 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7911753 | 0.65 | — | — | |
| SCHEMBL21155623 | 0.65 | — | — | |
| SCHEMBL27681920 | 0.64 | — | — | |
| SCHEMBL6348745 | 0.64 | — | — | |
| SCHEMBL6474580 | 0.64 | — | — | |
| SCHEMBL9517842 | 0.63 | — | — | |
| SCHEMBL3085944 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL10887329 | 0.63 | — | — |
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-1940373-A4 | INOSITOL DERIVATIVES AND THEIR USES IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DESPOSITION, ACCUMULATION OR PERSISTENCE | WARATAH PHARMACEUTICALS INC (CA) | 2009-05-27 | — | — | EP | disclosed |
| EP-1940373-A2 | INOSITOL DERIVATIVES AND THEIR USES IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DESPOSITION, ACCUMULATION OR PERSISTENCE | Waratah Pharmaceuticals, Inc. (CA) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007119108-A2 | INOSITOL DERIVATIVES AND THEIR USES IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE | WARATAH PHARMACEUTICALS INC. (US) | 2007-10-25 | — | — | WO | disclosed |