⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28116713 | 0.82 | TSHR (0.43) | — | |
| SCHEMBL5278270 | 0.74 | FBP1 (0.53) | — | |
| SCHEMBL22088556 | 0.71 | — | — | |
| SCHEMBL27670312 | 0.69 | — | — | |
| SCHEMBL28071062 | 0.69 | — | — | |
| SCHEMBL79089 | 0.69 | — | — | |
| SCHEMBL162319 | 0.69 | — | — | |
| SCHEMBL28125024 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL4273820 | 0.69 | — | — | |
| SCHEMBL17178422 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112646151-B | Degradable bio-based slow-release lead ion chelating agent and preparation method and application thereof | 华南师范大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-112646151-A | Degradable bio-based slow-release lead ion chelating agent and preparation method and application thereof | 华南师范大学 | 2021-04-13 | — | — | CN | disclosed |
| CN-104719344-B | The fungicide of synthesis and biological fungicide combine the purposes for controlling harmful fungoid | 拜尔作物科学有限公司 | 2018-11-13 | — | — | CN | disclosed |