⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11230123 | 0.81 | EPHX2 (0.56) | — | |
| SCHEMBL862847 | 0.79 | — | — | |
| SCHEMBL419932 | 0.79 | — | — | |
| SCHEMBL10304153 | 0.77 | MEN1 (0.56) | — | |
| SCHEMBL15256928 | 0.77 | EPHX1 (0.52) | — | |
| SCHEMBL24244627 | 0.77 | — | — | |
| SCHEMBL1197015 | 0.77 | — | — | |
| SCHEMBL23192460 | 0.77 | — | — | |
| SCHEMBL1455011 | 0.77 | — | — | |
| SCHEMBL4104836 | 0.76 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1979348-B1 | ANTI-VIRAL COMPOUNDS | ABBOTT LAB (US) | 2012-01-18 | — | — | EP | disclosed |
| US-7910595-B2 | Anti-viral compounds | ABBOTT LABORATORIES (US) | 2011-03-22 | — | — | US | disclosed |
| EP-1979348-A2 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-10-15 | — | — | EP | disclosed |
| US-20070232627-A1 | ANTI-VIRAL COMPOUNDS | ABBVIE INC. | 2007-10-04 | — | — | US | disclosed |
| WO-2007076034-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-05 | — | — | WO | disclosed |