⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28235073 | 0.78 | ACLY (0.38) | — | |
| SCHEMBL6350851 | 0.72 | — | — | |
| SCHEMBL5312507 | 0.70 | HTT (0.31) | — | |
| SCHEMBL1895685 | 0.70 | — | — | |
| SCHEMBL211941 | 0.68 | — | — | |
| SCHEMBL3629230 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6357189 | 0.66 | — | — | |
| SCHEMBL6537825 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL152334 | 0.64 | — | — | |
| SCHEMBL28254434 | 0.64 | — | — |
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-1924551-A2 | ORGANIC COMPOUNDS | Novartis Pharma AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025709-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| CN-1426394-A | Novel compounds | ASTRAZENECA AB (SE) | 2003-06-25 | — | — | CN | disclosed |