⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1563009 | 0.75 | — | — | |
| SCHEMBL186909 | 0.73 | — | — | |
| SCHEMBL9426068 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9697668 | 0.71 | — | — | |
| SCHEMBL7263173 | 0.71 | MGAM (0.39) | — | |
| SCHEMBL28046808 | 0.69 | — | — | |
| SCHEMBL27466597 | 0.69 | — | — | |
| SCHEMBL9707584 | 0.69 | — | — | |
| SCHEMBL17786022 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3847236 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105246524-A | Adsorption carrier-packed column | TORAY INDUSTRIES | 2016-01-13 | — | — | CN | disclosed |