⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21226624 | 0.83 | — | — | |
| SCHEMBL1353040 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL1353039 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL11163492 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL21567550 | 0.77 | — | — | |
| SCHEMBL24428020 | 0.75 | — | — | |
| SCHEMBL20037768 | 0.75 | — | — | |
| SCHEMBL20438201 | 0.73 | MGAM (0.48) | — | |
| SCHEMBL19389712 | 0.72 | — | — | |
| SCHEMBL23952396 | 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 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 |