⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL375674 | 0.84 | — | — | |
| SCHEMBL698732 | 0.70 | ABAT (0.46) | — | |
| SCHEMBL14791315 | 0.70 | ABAT (0.46) | — | |
| SCHEMBL1848855 | 0.70 | ABAT (0.46) | — | |
| SCHEMBL15466878 | 0.70 | ABAT (0.46) | — | |
| SCHEMBL10125384 | 0.69 | — | — | |
| SCHEMBL350173 | 0.67 | — | — | |
| SCHEMBL852992 | 0.67 | — | — | |
| SCHEMBL6384703 | 0.67 | — | — | |
| SCHEMBL698234 | 0.65 | ABAT (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | claimed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |