⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL945485 | 0.74 | — | — | |
| SCHEMBL1399909 | 0.74 | — | — | |
| SCHEMBL4162100 | 0.74 | — | — | |
| SCHEMBL693202 | 0.74 | — | — | |
| SCHEMBL4932949 | 0.74 | — | — | |
| SCHEMBL323151 | 0.74 | — | — | |
| SCHEMBL11877100 | 0.72 | — | — | |
| SCHEMBL1547627 | 0.72 | — | — | |
| SCHEMBL11221727 | 0.72 | NOS3 (0.38) | — | |
| SCHEMBL1219807 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7557215-B2 | Anthraquinone compounds as anti cancer compounds | SOMANTA LIMITED (GB) | 2009-07-07 | — | — | US | disclosed |
| EP-1701939-B1 | ANTHRAQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS | SOMANTA LTD (GB) | 2009-02-25 | — | — | EP | disclosed |
| US-20080027107-A1 | Antharquinone Compounds as Anti Cancer Compounds | SOMANTA LIMITED (GB) | 2008-01-31 | — | — | US | disclosed |
| EP-1701939-A1 | ANTHRAQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS | Somanta Limited (GB) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005061453-A1 | ANTHARQUINONE COMPOUNDS AS ANTI CANCER COMPOUNDS | SOMANTA LIMITED (GB) | 2005-07-07 | — | — | WO | disclosed |