⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL174851 | 0.95 | — | — | |
| SCHEMBL28680067 | 0.91 | — | — | |
| SCHEMBL28067704 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL27720839 | 0.91 | — | — | |
| Phosphine SCHEMBL15510502 | 0.91 | — | — | |
| SCHEMBL30733162 | 0.91 | — | — | |
| SCHEMBL27483044 | 0.91 | — | — | |
| Sulfuric Acid SCHEMBL10478991 | 0.91 | CA5A (0.55) | — | |
| Hydrochloric Acid SCHEMBL21646118 | 0.91 | — | — | |
| SCHEMBL28206831 | 0.91 | — | — |
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-117209795-A | Preparation method and application of lignin sulfonate | 贵州大学 | 2023-12-12 | — | — | CN | disclosed |