⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22050 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5449401 | 0.80 | — | — | |
| Water SCHEMBL7522107 | 0.80 | — | — | |
| SCHEMBL10386033 | 0.80 | — | — | |
| Water SCHEMBL29797396 | 0.80 | — | — | |
| SCHEMBL284627 | 0.80 | — | — | |
| SCHEMBL9471566 | 0.80 | — | — | |
| SCHEMBL2167523 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL6884028 | 0.80 | — | — | |
| Water SCHEMBL29797428 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118930827-A | Preparation and temporary shape control method of degradable shape memory polyester copolymer | 淮北矿业绿色化工新材料研究院有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-112758977-B | Method for reducing tin content of titanium tetrachloride | 仙桃市中星电子材料有限公司 | 2023-06-23 | — | — | CN | disclosed |