⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7066512 | 0.83 | — | — | |
| SCHEMBL1751294 | 0.83 | — | — | |
| SCHEMBL7192269 | 0.76 | CA1 (0.37) | — | |
| SCHEMBL6813471 | 0.74 | FAAH (0.31) | — | |
| SCHEMBL14226449 | 0.72 | — | — | |
| SCHEMBL13378258 | 0.70 | — | — | |
| SCHEMBL10094925 | 0.69 | CYP2D6 (0.31) | — | |
| SCHEMBL5316458 | 0.67 | — | — | |
| SCHEMBL1751882 | 0.67 | — | — | |
| SCHEMBL5316459 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004009574-A1 | SYNTHESIS OF DISCODERMOLIDE | NOVARTIS AG (CH) | 2004-01-29 | — | — | WO | disclosed |