⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL274479 | 0.71 | — | — | |
| SCHEMBL271320 | 0.67 | — | — | |
| SCHEMBL154955 | 0.63 | — | — | |
| SCHEMBL4444170 | 0.63 | — | — | |
| Fluoride SCHEMBL3804874 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL2532415 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL40163 | 0.60 | — | — | |
| SCHEMBL20038146 | 0.60 | — | — | |
| Iodide SCHEMBL1835509 | 0.60 | TDP1 (0.31) | — | |
| Bromide SCHEMBL2534871 | 0.60 | TDP1 (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 5 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 |
| EP-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |