⚠ 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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL5308519 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL18103 | 0.94 | — | — | |
| Benzoquinone SCHEMBL3208089 | 0.94 | — | — | |
| Benzoquinone SCHEMBL460082 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL10506648 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL30679171 | 0.94 | — | — | |
| Benzoquinone SCHEMBL10379701 | 0.89 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL11216174 | 0.89 | — | — | |
| Benzoquinone SCHEMBL7112416 | 0.89 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL11513694 | 0.89 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569734-B2 | Method of using rhodium quinonoid catalysts | BROWN UNIVERSITY (US) | 2009-08-04 | — | — | US | claimed |
| US-20070123715-A1 | Method of using rhodium quinonoid catalysts | BROWN UNIVERSITY | 2007-05-31 | — | — | US | claimed |
| US-20100010235-A1 | Method of using rhodium quinonoid catalysts | BROWN UNIVERSITY | 2010-01-14 | — | — | US | disclosed |
| US-7569734-B2 | Method of using rhodium quinonoid catalysts | BROWN UNIVERSITY (US) | 2009-08-04 | — | — | US | disclosed |
| US-7495097-B2 | Rhodium quinonoid catalysts | BROWN UNIVERSITY (US) | 2009-02-24 | — | — | US | disclosed |
| US-20070123715-A1 | Method of using rhodium quinonoid catalysts | BROWN UNIVERSITY | 2007-05-31 | — | — | US | disclosed |
| US-20070117981-A1 | Rhodium quinonoid catalysts | BROWN UNIVERSITY | 2007-05-24 | — | — | US | disclosed |