⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15418185 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL18900262 | 0.69 | — | — | |
| SCHEMBL2058188 | 0.69 | — | — | |
| SCHEMBL438504 | 0.69 | — | — | |
| SCHEMBL19397684 | 0.69 | — | — | |
| SCHEMBL1719584 | 0.67 | — | — | |
| SCHEMBL21126640 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL3847107 | 0.67 | — | — | |
| SCHEMBL24319155 | 0.65 | SLC6A4 (0.31) | — | |
| SCHEMBL2277956 | 0.65 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409389-B | Preparation method and application of gelator based on terpyridine and oxynitride | 河北科技大学 | 2022-08-12 | — | — | CN | claimed |
| CN-109517011-B | Cobalt-naphthalene ring nitroxide free radical molecular magnet material with 6.3T coercive force and preparation method thereof | 南开大学 | 2021-01-08 | — | — | CN | claimed |
| CN-112409389-B | Preparation method and application of gelator based on terpyridine and oxynitride | 河北科技大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-112409389-A | Preparation method and application of gelator based on terpyridine and oxynitride | 河北科技大学 | 2021-02-26 | — | — | CN | disclosed |