⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5804394 | 0.69 | — | — | |
| SCHEMBL8267341 | 0.69 | — | — | |
| SCHEMBL13594908 | 0.69 | — | — | |
| SCHEMBL20125147 | 0.67 | — | — | |
| SCHEMBL20258801 | 0.64 | — | — | |
| SCHEMBL13075825 | 0.57 | — | — | |
| SCHEMBL9977668 | 0.55 | — | — | |
| SCHEMBL14186113 | 0.51 | — | — | |
| SCHEMBL824748 | 0.51 | — | — | |
| SCHEMBL10182414 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3152193-B1 | TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN | HOLZGRABE ULRIKE (DE) | 2018-03-28 | — | — | EP | disclosed |