⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL515487 | 0.71 | — | — | |
| SCHEMBL7214684 | 0.71 | — | — | |
| SCHEMBL8850287 | 0.71 | — | — | |
| SCHEMBL5331186 | 0.71 | — | — | |
| SCHEMBL9571704 | 0.71 | — | — | |
| SCHEMBL5935112 | 0.71 | — | — | |
| SCHEMBL1456497 | 0.67 | — | — | |
| SCHEMBL6720339 | 0.67 | — | — | |
| SCHEMBL6717666 | 0.66 | — | — | |
| SCHEMBL9982720 | 0.66 | — | — |
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-7998540-B2 | Substituted anthracenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-08-16 | — | — | US | disclosed |
| EP-1644460-B1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GMBH (DE) | 2008-01-30 | — | — | EP | disclosed |
| US-20070014934-A1 | Substituted anthracenes | MERCK PATENT GMBH (DE) | 2007-01-18 | — | — | US | disclosed |
| CN-1820062-A | Substituted anthracenes | MERCK PATENT GMBH (DE) | 2006-08-16 | — | — | CN | disclosed |
| EP-1644460-A1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GmbH (DE) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005005572-A1 | SUBSTITUTED ANTHRACENES | MERCK PATENT GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |