⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2750068 | 1.00 | — | — | |
| SCHEMBL13745147 | 1.00 | — | — | |
| SCHEMBL20877589 | 0.79 | — | — | |
| SCHEMBL15624548 | 0.78 | — | — | |
| SCHEMBL13746730 | 0.78 | — | — | |
| SCHEMBL10105736 | 0.78 | — | — | |
| SCHEMBL18440476 | 0.77 | THRB (0.53) | — | |
| SCHEMBL17366310 | 0.74 | — | — | |
| SCHEMBL6667187 | 0.74 | — | — | |
| SCHEMBL10304880 | 0.72 | — | — |
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-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |