⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9170906 | 0.82 | — | — | |
| SCHEMBL12085045 | 0.82 | — | — | |
| SCHEMBL812019 | 0.82 | — | — | |
| SCHEMBL13758782 | 0.82 | — | — | |
| SCHEMBL24450631 | 0.81 | — | — | |
| SCHEMBL20597623 | 0.81 | — | — | |
| SCHEMBL417744 | 0.81 | — | — | |
| SCHEMBL5061905 | 0.70 | — | — | |
| SCHEMBL5061904 | 0.70 | — | — | |
| SCHEMBL20920554 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012150577-A1 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND APPLICATIONS THEREOF | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2012-11-08 | — | — | WO | disclosed |
| EP-2520297-A1 | Rubreserine and its derivates with antiparasitic activity | Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) | 2012-11-07 | — | — | EP | disclosed |