⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3769382 | 0.87 | — | — | |
| SCHEMBL24959 | 0.87 | — | — | |
| SCHEMBL28041822 | 0.85 | — | — | |
| Methacrylic Acid SCHEMBL3777916 | 0.85 | THRB (0.33) | — | |
| SCHEMBL27897637 | 0.85 | THRB (0.33) | — | |
| Alcohol SCHEMBL25253708 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL27943137 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL1613920 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL6651911 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL100218 | 0.84 | — | — |
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-118325349-A | Conductive TPV master batch, high-conductivity TPV composite material and preparation methods thereof | 宁波石墨烯创新中心有限公司 | 2024-07-12 | — | — | CN | disclosed |