⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3166483 | 1.00 | — | — | |
| SCHEMBL2959695 | 0.70 | — | — | |
| SCHEMBL357579 | 0.70 | — | — | |
| SCHEMBL1911315 | 0.70 | — | — | |
| SCHEMBL18125228 | 0.70 | — | — | |
| SCHEMBL9290796 | 0.70 | — | — | |
| SCHEMBL4035952 | 0.69 | — | — | |
| SCHEMBL1457061 | 0.68 | — | — | |
| SCHEMBL17707910 | 0.68 | RNPEP (0.38) | — | |
| SCHEMBL41467 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700628-B2 | Aromatic ether derivatives useful as thrombin inhibitors | ELI LILLY AND COMPANY (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1817287-B1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | LILLY CO ELI (US) | 2010-02-10 | — | — | EP | disclosed |
| US-20090227566-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2009-09-10 | — | — | US | disclosed |