⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6155542 | 1.00 | — | — | |
| SCHEMBL489587 | 1.00 | — | — | |
| SCHEMBL1877606 | 0.89 | — | — | |
| SCHEMBL28932773 | 0.89 | — | — | |
| SCHEMBL28303992 | 0.89 | — | — | |
| SCHEMBL28439772 | 0.89 | — | — | |
| SCHEMBL4659103 | 0.89 | — | — | |
| SCHEMBL7051867 | 0.89 | — | — | |
| SCHEMBL4661654 | 0.89 | — | — | |
| SCHEMBL29144518 | 0.89 | — | — |
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-1507529-A1 | COMBINATION OF ORGANIC COMPOUNDS | Novartis AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003097045-A1 | COMBINATION OF ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2003-11-27 | — | — | WO | disclosed |