⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14895458 | 0.76 | — | — | |
| SCHEMBL30736405 | 0.73 | — | — | |
| SCHEMBL17438438 | 0.59 | — | — | |
| SCHEMBL31192167 | 0.56 | — | — | |
| SCHEMBL2457288 | 0.56 | — | — | |
| SCHEMBL28215393 | 0.56 | — | — | |
| SCHEMBL9641173 | 0.50 | — | — | |
| SCHEMBL11928886 | 0.45 | — | — | |
| SCHEMBL13784324 | 0.43 | — | — | |
| Propionitrile SCHEMBL28275568 | 0.43 | ALDH1A1 (0.45) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117838891-A | Atherosclerosis targeting sugar-containing polymer CT contrast agent and preparation method thereof | 江南大学 | 2024-04-09 | — | — | CN | claimed |
| CN-115301214-A | Choline phosphoric acid composite magnetic nano material and preparation method and application thereof | 暨南大学 | 2022-11-08 | — | — | CN | claimed |
| CN-109096450-B | Hyperbranched cationic mussel-like polymer and preparation method thereof | 四川汇利实业有限公司 | 2021-04-06 | — | — | CN | claimed |
| CN-109206650-B | Film for medicine packaging and preparation method thereof | 四川汇利实业有限公司 | 2021-02-19 | — | — | CN | claimed |
| CN-115634633-A | Pickering emulsion microreactor with enhanced enzyme catalysis and preparation method thereof | 南京工业大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-115449038-A | Block copolymer, thermal response light modulation device and preparation method and application thereof | 华南师范大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-115301214-A | Choline phosphoric acid composite magnetic nano material and preparation method and application thereof | 暨南大学 | 2022-11-08 | — | — | CN | disclosed |