⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13300885 | 1.00 | — | — | |
| SCHEMBL14403629 | 0.98 | — | — | |
| SCHEMBL10038584 | 0.98 | — | — | |
| SCHEMBL9622125 | 0.98 | — | — | |
| SCHEMBL9461132 | 0.98 | — | — | |
| SCHEMBL13825702 | 0.98 | — | — | |
| SCHEMBL13825709 | 0.80 | MGAM (0.40) | — | |
| SCHEMBL10100000 | 0.80 | MGAM (0.40) | — | |
| SCHEMBL10063791 | 0.80 | MGAM (0.40) | — | |
| SCHEMBL16602936 | 0.80 | MGAM (0.40) | — |
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-8722725-B2 | Caffeoylquinic acid derivatives containing nitrogen, and preparation method, pharmaceutical composition and usage thereof | ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) | 2014-05-13 | — | — | US | disclosed |
| US-20100144828-A1 | CAFFEOYLQUINIC ACID DERIVATIVES CONTAINING NITROGEN, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USAGE THEREOF | ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICA (CN) | 2010-06-10 | — | — | US | disclosed |