⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8028662 | 0.83 | — | — | |
| SCHEMBL11045149 | 0.69 | — | — | |
| SCHEMBL1659298 | 0.69 | — | — | |
| SCHEMBL1339209 | 0.69 | — | — | |
| SCHEMBL17293223 | 0.69 | — | — | |
| SCHEMBL1340193 | 0.69 | — | — | |
| SCHEMBL1340501 | 0.69 | — | — | |
| SCHEMBL13458109 | 0.69 | — | — | |
| SCHEMBL1659670 | 0.69 | — | — | |
| SCHEMBL17293313 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156628-B | Cyclotriol derivative and preparation method and application thereof | 暨南大学 | 2022-05-17 | — | — | CN | claimed |
| CN-110156628-B | Cyclotriol derivative and preparation method and application thereof | 暨南大学 | 2022-05-17 | — | — | CN | disclosed |
| US-11254653-B2 | NLRP3 inflammasome inhibitors | NOVARTIS AG (CH) | 2022-02-22 | — | — | US | disclosed |
| US-20200361899-A1 | NLRP3 INFLAMMASOME INHIBITORS | NOVARTIS PHARMA AG (CH) | 2020-11-19 | — | — | US | disclosed |
| EP-0982283-A2 | Method for the separation of polyfunctional alcohols from water-soluble salts in aqueous systems | Degussa-Hüls Aktiengesellschaft (DE) | 2000-03-01 | — | — | EP | disclosed |
| US-4132726-A | INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS | TEIJIN LIMITED (JP) | 1979-01-02 | — | — | US | disclosed |