⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25886288 | 0.75 | — | — | |
| SCHEMBL19407065 | 0.72 | — | — | |
| SCHEMBL22179646 | 0.72 | — | — | |
| SCHEMBL8998636 | 0.70 | — | — | |
| SCHEMBL8998646 | 0.70 | — | — | |
| SCHEMBL11199640 | 0.69 | — | — | |
| SCHEMBL11199630 | 0.69 | — | — | |
| SCHEMBL9562429 | 0.65 | — | — | |
| SCHEMBL23139292 | 0.65 | ADH1B (0.31) | — | |
| SCHEMBL13071159 | 0.65 | PTPN1 (0.31) | — |
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-0330218-B1 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMA (US) | 1995-01-25 | — | — | EP | disclosed |
| EP-0330218-A2 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-08-30 | — | — | EP | disclosed |