⚠ 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 SCHEMBL27991426 | 0.83 | — | — | |
| SCHEMBL23493555 | 0.80 | — | — | |
| SCHEMBL28762259 | 0.79 | TP53 (0.38) | — | |
| SCHEMBL6011999 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL14778191 | 0.73 | TP53 (0.32) | — | |
| SCHEMBL21496249 | 0.73 | TP53 (0.33) | — | |
| SCHEMBL23345579 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL20873470 | 0.70 | TP53 (0.34) | — | |
| SCHEMBL14779676 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL5460176 | 0.67 | TP53 (0.36) | — |
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-112570022-B | Magnetic substance immobilized organic-inorganic hybrid material catalyst and preparation and application thereof | 浙江工商大学 | 2022-09-20 | — | — | CN | disclosed |