⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28296127 | 0.77 | NPSR1 (0.34) | — | |
| SCHEMBL27617110 | 0.68 | ADORA3 (0.30) | — | |
| SCHEMBL8396507 | 0.68 | — | — | |
| SCHEMBL29638783 | 0.68 | — | — | |
| SCHEMBL1868811 | 0.67 | — | — | |
| SCHEMBL22747796 | 0.64 | SLC22A6 (0.30) | — | |
| SCHEMBL28485690 | 0.64 | — | — | |
| SCHEMBL29768627 | 0.64 | — | — | |
| SCHEMBL29440550 | 0.64 | — | — | |
| SCHEMBL7854382 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112513049-B | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-116635378-A | Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof | 赛特凯恩蒂克公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-112513049-A | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2021-03-16 | — | — | CN | disclosed |
| WO-2005089515-A9 | METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES | BRIGHAM & WOMENS HOSPITAL (US) | 2006-01-26 | — | — | WO | disclosed |