⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6762084 | 0.83 | — | — | |
| SCHEMBL891706 | 0.72 | — | — | |
| SCHEMBL4956991 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL28316062 | 0.70 | — | — | |
| SCHEMBL27716984 | 0.70 | — | — | |
| SCHEMBL111154 | 0.70 | — | — | |
| SCHEMBL11213309 | 0.68 | — | — | |
| SCHEMBL9077478 | 0.67 | — | — | |
| SCHEMBL29221413 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27625664 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |