⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28600780 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL28508616 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL29074543 | 0.75 | — | — | |
| Iodide SCHEMBL28977707 | 0.75 | — | — | |
| Bromide SCHEMBL26969680 | 0.73 | — | — | |
| SCHEMBL28715896 | 0.71 | — | — | |
| SCHEMBL29010983 | 0.69 | — | — | |
| SCHEMBL2190289 | 0.69 | — | — | |
| Bromide SCHEMBL29268458 | 0.62 | — | — | |
| SCHEMBL18274705 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929563-B | Method for preparing aldehyde ketone compounds by polyacrylonitrile fiber supported photosensitive polymeric ionic liquid catalysis | 曲阜师范大学 | 2023-05-19 | — | — | CN | claimed |
| CN-113929563-B | Method for preparing aldehyde ketone compounds by polyacrylonitrile fiber supported photosensitive polymeric ionic liquid catalysis | 曲阜师范大学 | 2023-05-19 | — | — | CN | disclosed |
| CN-111635478-B | Low-impedance binder and preparation method and application thereof | 珠海冠宇电池股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-113929563-A | Method for preparing aldehyde ketone compound by catalysis of polyacrylonitrile fiber loaded photosensitive polymeric ionic liquid | 曲阜师范大学 | 2022-01-14 | — | — | CN | disclosed |
| CN-111635478-A | Low-impedance binder and preparation method and application thereof | 珠海冠宇电池股份有限公司 | 2020-09-08 | — | — | CN | disclosed |