⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29473877 | 0.71 | — | — | |
| SCHEMBL49449 | 0.71 | — | — | |
| SCHEMBL29817173 | 0.71 | — | — | |
| SCHEMBL15729 | 0.71 | — | — | |
| SCHEMBL19683 | 0.71 | — | — | |
| SCHEMBL28297339 | 0.71 | — | — | |
| SCHEMBL29806183 | 0.71 | — | — | |
| SCHEMBL23023857 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL498430 | 0.50 | — | — | |
| SCHEMBL2384433 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5064465-A | Magnets | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1991-11-12 | — | — | US | claimed |
| CN-208997026-U | A kind of light rare earth mineral medicament workshop silencing pipeline centrifugal pump | 山东微山湖稀土有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-108912343-A | A kind of metal-organic framework materials and its preparation method and application that poly- unsaturated carboxylic acid class is modified | 辽宁大学 | 2018-11-30 | — | — | CN | disclosed |