⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2156055 | 0.81 | — | — | |
| SCHEMBL3600899 | 0.77 | ACHE (0.33) | — | |
| SCHEMBL29709265 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11040551 | 0.74 | — | — | |
| SCHEMBL13585365 | 0.69 | — | — | |
| SCHEMBL497899 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL575277 | 0.67 | — | — | |
| SCHEMBL6183726 | 0.66 | PTPN1 (0.38) | — | |
| SCHEMBL2714777 | 0.66 | MMP1 (0.34) | — | |
| SCHEMBL575325 | 0.66 | LAP3 (0.31) | — |
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 |