⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4914603 | 1.00 | — | — | |
| SCHEMBL3558038 | 1.00 | — | — | |
| SCHEMBL11453588 | 1.00 | — | — | |
| SCHEMBL20096269 | 1.00 | — | — | |
| SCHEMBL11453587 | 1.00 | — | — | |
| SCHEMBL145250 | 0.94 | THRB (0.47) | — | |
| SCHEMBL1440790 | 0.94 | THRB (0.47) | — | |
| SCHEMBL1071722 | 0.94 | THRB (0.47) | — | |
| SCHEMBL13993046 | 0.94 | THRB (0.47) | — | |
| SCHEMBL113492 | 0.94 | THRB (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080305082-A1 | 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof | NOVACEA, INC. | 2008-12-11 | — | — | US | disclosed |
| WO-2008103320-A1 | METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES | NOVACEA, INC. (US) | 2008-08-28 | — | — | WO | disclosed |