⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045708 | 0.75 | — | — | |
| SCHEMBL5622273 | 0.75 | — | — | |
| SCHEMBL16885218 | 0.75 | — | — | |
| SCHEMBL1034863 | 0.70 | — | — | |
| SCHEMBL1034888 | 0.69 | — | — | |
| SCHEMBL14546385 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL8299329 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL27428511 | 0.65 | — | — | |
| SCHEMBL3160899 | 0.63 | NOS3 (0.38) | — | |
| SCHEMBL6524180 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115165-B2 | Tetracyclic anthraquinone antibiotic derivatives with high activity, process for preparing the same and use thereof | TIANJIN HEMAY BIO-TECH CO., LTD. (CN) | 2015-08-25 | — | — | US | disclosed |
| US-20110224161-A1 | TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF | TIANJIN HEMAY BIO-TECH CO., LTD. (CN) | 2011-09-15 | — | — | US | disclosed |
| EP-2277884-A1 | ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF | Tianjin Hemay Bio-Tech Co., Ltd. (CN) | 2011-01-26 | — | — | EP | disclosed |