⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1921622 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL1922094 | 0.72 | — | — | |
| SCHEMBL11723846 | 0.70 | — | — | |
| SCHEMBL5077170 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL436918 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL28018684 | 0.69 | — | — | |
| SCHEMBL7513007 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL29136616 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL1921382 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL16510093 | 0.65 | ALDH1A1 (0.47) | — |
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-111286109-A | Preparation method of anti-yellowing high-density polyethylene | 上海赛科石油化工有限责任公司 | 2020-06-16 | — | — | CN | disclosed |