⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13745248 | 1.00 | — | — | |
| SCHEMBL40003 | 1.00 | — | — | |
| SCHEMBL22342339 | 0.97 | — | — | |
| SCHEMBL5822180 | 0.83 | — | — | |
| SCHEMBL1604993 | 0.83 | — | — | |
| SCHEMBL59325 | 0.83 | — | — | |
| SCHEMBL6901463 | 0.82 | ENPEP (0.33) | — | |
| SCHEMBL1275227 | 0.81 | — | — | |
| SCHEMBL19301076 | 0.81 | — | — | |
| SCHEMBL5699220 | 0.81 | THRB (0.32) | — |
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-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |