⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9556867 | 0.75 | — | — | |
| SCHEMBL2916585 | 0.73 | — | — | |
| SCHEMBL13181402 | 0.73 | — | — | |
| SCHEMBL9888226 | 0.73 | — | — | |
| SCHEMBL16965883 | 0.71 | — | — | |
| SCHEMBL8607589 | 0.71 | — | — | |
| SCHEMBL20764196 | 0.71 | — | — | |
| SCHEMBL13208861 | 0.71 | — | — | |
| SCHEMBL14599212 | 0.71 | — | — | |
| SCHEMBL15592081 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110117069-A1 | METHOD FOR ACTIVATING REGULATORY T-CELLS | IMTM GMBH (DE) | 2011-05-19 | — | — | US | disclosed |
| 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 |