⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6679131 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL27677179 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL7779633 | 0.70 | ALDH1A1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL28041602 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL1171384 | 0.67 | TSHR (0.45) | — | |
| SCHEMBL29167984 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL11590194 | 0.64 | ALDH1A1 (0.47) | — | |
| SCHEMBL3762684 | 0.63 | ALDH1A1 (0.53) | — | |
| SCHEMBL7866294 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL7868942 | 0.63 | ALDH1A1 (0.46) | — |
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-116410365-A | Polypropylene catalyst and preparation method and application thereof | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | disclosed |