⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2472275 | 0.99 | — | — | |
| SCHEMBL2475865 | 0.88 | CCR1 (0.36) | — | |
| SCHEMBL2475868 | 0.88 | CCR1 (0.36) | — | |
| SCHEMBL2475246 | 0.80 | HSP90AA1 (0.37) | — | |
| SCHEMBL2475243 | 0.80 | HSP90AA1 (0.37) | — | |
| SCHEMBL13372654 | 0.77 | HSP90AA1 (0.40) | — | |
| SCHEMBL2475172 | 0.77 | HSP90AA1 (0.40) | — | |
| SCHEMBL2478976 | 0.77 | HSP90AA1 (0.40) | — | |
| SCHEMBL13372635 | 0.76 | HSP90AA1 (0.41) | — | |
| SCHEMBL3455965 | 0.76 | HSP90AA1 (0.41) | — |
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-2373650-A1 | TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER | Noscira, S.A. (ES) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010066832-A1 | TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER | NOSCIRA, S.A. (ES) | 2010-06-17 | — | — | WO | disclosed |