⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5545119 | 0.75 | — | — | |
| SCHEMBL19369721 | 0.74 | — | — | |
| SCHEMBL10305688 | 0.74 | — | — | |
| SCHEMBL10305665 | 0.74 | — | — | |
| SCHEMBL1058410 | 0.74 | — | — | |
| SCHEMBL5868286 | 0.74 | — | — | |
| SCHEMBL8781922 | 0.73 | — | — | |
| SCHEMBL11290900 | 0.73 | — | — | |
| SCHEMBL15173830 | 0.73 | — | — | |
| SCHEMBL28014630 | 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-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 |