⚠ 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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL27487016 | 0.95 | TSHR (0.73) | — | |
| Hexane SCHEMBL268437 | 0.95 | — | — | |
| Heptane SCHEMBL936954 | 0.91 | TSHR (0.67) | — | |
| Carbon Tetrachloride SCHEMBL28254047 | 0.91 | TSHR (0.67) | — | |
| Hexadecane SCHEMBL23499901 | 0.89 | TSHR (1.00) | — | |
| Decane SCHEMBL23499900 | 0.89 | TSHR (1.00) | — | |
| Decane SCHEMBL3666565 | 0.89 | TSHR (1.00) | — | |
| SCHEMBL23854647 | 0.89 | TSHR (1.00) | — | |
| Hexadecane SCHEMBL2039121 | 0.89 | TSHR (1.00) | — | |
| Heptane SCHEMBL10948326 | 0.89 | TSHR (1.00) | — |
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-108473447-A | The method for preparing functionalized 1,2,4,5- tetrazines compound | 勃艮第大学 | 2018-08-31 | — | — | CN | disclosed |
| CN-107446126-A | The manufacture method of polyphenylene oxide | 旭化成株式会社 | 2017-12-08 | — | — | CN | disclosed |