⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30349594 | 0.97 | — | — | |
| SCHEMBL346944 | 0.97 | — | — | |
| SCHEMBL10170816 | 0.97 | OXTR (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL8863598 | 0.94 | — | — | |
| Bromide SCHEMBL22498666 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8131892 | 0.92 | OXTR (0.48) | — | |
| Bromomethane SCHEMBL1844007 | 0.89 | OXTR (0.46) | — | |
| SCHEMBL5045846 | 0.83 | MAOA (0.50) | — | |
| Formic Acid SCHEMBL9261850 | 0.83 | MAOA (0.45) | — | |
| Bromobenzene SCHEMBL6279145 | 0.83 | ALDH1A1 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107849031-B | Mannose derivatives for the treatment of bacterial infections | 沃泰克斯药物股份有限公司 | 2021-07-27 | — | — | CN | disclosed |