⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10598 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3173744 | 0.93 | — | — | |
| Methane SCHEMBL3126904 | 0.93 | — | — | |
| Ethane SCHEMBL6858547 | 0.90 | — | — | |
| SCHEMBL2185682 | 0.80 | — | — | |
| SCHEMBL28288119 | 0.78 | — | — | |
| Succinic Acid SCHEMBL2222412 | 0.76 | LMNA (0.90) | — | |
| Succinic Acid SCHEMBL3204318 | 0.76 | LMNA (0.90) | — | |
| Succinic Acid SCHEMBL24441 | 0.76 | — | — | |
| Succinic Acid SCHEMBL8141952 | 0.76 | LMNA (0.90) | — |
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-108976153-A | Antibacterial hydrophilic compounds and application | 深圳大学 | 2018-12-11 | — | — | CN | disclosed |
| CN-105531258-A | Reactive antibacterial compound and preparation method thereof | UNIV SHENZHEN | 2016-04-27 | — | — | CN | disclosed |