⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3465808 | 0.90 | — | — | |
| SCHEMBL3464723 | 0.87 | — | — | |
| SCHEMBL3464140 | 0.87 | — | — | |
| SCHEMBL3465005 | 0.85 | KMT2A (0.39) | — | |
| SCHEMBL3464862 | 0.84 | — | — | |
| SCHEMBL3465023 | 0.83 | MEN1 (0.35) | — | |
| SCHEMBL3465261 | 0.82 | HSP90AA1 (0.36) | — | |
| SCHEMBL3466321 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL3463969 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL3465726 | 0.77 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240656-A1 | COMPOUNDS AS HSP90 INHIBITORS | ORYZON GENOMICS, S.A. (ES) | 2010-09-23 | — | — | US | disclosed |
| EP-2183221-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | Crystax Pharmaceuticals S.L. (ES) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009007399-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-01-15 | — | — | WO | disclosed |