⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6032377 | 0.73 | F10 (0.33) | — | |
| SCHEMBL6028856 | 0.72 | TLR4 (0.32) | — | |
| Acetic Acid SCHEMBL6029259 | 0.72 | F10 (0.43) | — | |
| SCHEMBL6028490 | 0.71 | ENPP2 (0.33) | — | |
| SCHEMBL6028305 | 0.68 | — | — | |
| SCHEMBL6028248 | 0.63 | TLR4 (0.34) | — | |
| SCHEMBL6516867 | 0.58 | PPARA (0.33) | — | |
| SCHEMBL7240119 | 0.54 | ALDH1A1 (0.50) | — | |
| SCHEMBL27490739 | 0.53 | DPP7 (0.42) | — | |
| SCHEMBL3967761 | 0.53 | ALDH1A1 (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-1706396-A1 | N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F.HOFFMANN-LA ROCHE AG (CH) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005058868-A1 | N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |