⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7830047 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL5749529 | 0.71 | — | — | |
| SCHEMBL211773 | 0.69 | — | — | |
| SCHEMBL472503 | 0.67 | — | — | |
| SCHEMBL8383274 | 0.67 | — | — | |
| SCHEMBL28667869 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL4695772 | 0.63 | — | — | |
| SCHEMBL6935569 | 0.63 | ALDH1A1 (0.92) | — | |
| SCHEMBL5433410 | 0.63 | — | — | |
| SCHEMBL18131703 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398769-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| US-7977372-B2 | Ortho aminoamides for the treatment of cancer | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| WO-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100216806-A1 | ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE, INC. | 2010-08-26 | — | — | US | disclosed |