⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL22418325 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL17843747 | 0.87 | — | — | |
| Phosphine SCHEMBL28508288 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28884764 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28495010 | 0.75 | — | — | |
| Phosphine SCHEMBL27129196 | 0.75 | — | — | |
| Phosphine SCHEMBL28906957 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28683404 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28267025 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28107162 | 0.75 | — | — |
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-111912961-B | Quantitative evaluation method and system for oil adsorption of dry casein roots in shale | 东北石油大学 | 2022-12-09 | — | — | CN | claimed |
| CN-111912960-B | Quantitative evaluation method and system for kerogen free oil in shale | 东北石油大学 | 2022-11-08 | — | — | CN | claimed |