⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30202980 | 0.73 | — | — | |
| SCHEMBL11068747 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL10667289 | 0.70 | — | — | |
| SCHEMBL12642467 | 0.70 | — | — | |
| SCHEMBL2736022 | 0.67 | — | — | |
| SCHEMBL5868491 | 0.67 | TRPA1 (0.39) | — | |
| SCHEMBL5868493 | 0.67 | TRPA1 (0.39) | — | |
| SCHEMBL5868341 | 0.65 | TRPA1 (0.42) | — | |
| SCHEMBL5868339 | 0.65 | TRPA1 (0.42) | — | |
| Butadiene SCHEMBL5967512 | 0.64 | TSHR (0.50) | — |
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-109679289-B | Preparation method of high-toughness wear-resistant epoxy resin composite material and composite material | 华东理工大学 | 2021-06-04 | — | — | CN | disclosed |