⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17766753 | 0.77 | — | — | |
| SCHEMBL2992565 | 0.75 | — | — | |
| SCHEMBL22714131 | 0.69 | — | — | |
| SCHEMBL2879364 | 0.68 | TSHR (0.44) | — | |
| SCHEMBL4598916 | 0.67 | — | — | |
| SCHEMBL16396290 | 0.64 | — | — | |
| SCHEMBL292852 | 0.63 | — | — | |
| SCHEMBL5579 | 0.63 | — | — | |
| SCHEMBL10778108 | 0.63 | — | — | |
| SCHEMBL1470657 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103224474-B | The synthesis of tetracycline and the like | 哈佛大学校长及研究员协会 | 2016-08-03 | — | — | CN | disclosed |
| CN-105814112-A | Aliphatic polycarbonate-based surface active agents | 萨索尔化学品（美国）有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105793262-A | Bicyclic alkyne derivatives and uses thereof | 新加坡科技研究局 | 2016-07-20 | — | — | CN | disclosed |