⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197456 | 0.71 | CCR1 (0.46) | — | |
| SCHEMBL17800 | 0.71 | — | — | |
| SCHEMBL31504098 | 0.71 | CCR1 (0.46) | — | |
| SCHEMBL29538085 | 0.71 | — | — | |
| SCHEMBL32681750 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL14636438 | 0.69 | — | — | |
| SCHEMBL1017992 | 0.67 | PTK2 (0.38) | — | |
| SCHEMBL1311357 | 0.67 | — | — | |
| SCHEMBL18403109 | 0.67 | — | — | |
| SCHEMBL132151 | 0.67 | — | — |
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-1814855-A2 | DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006048152-A2 | DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-11 | — | — | WO | disclosed |