⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8726162 | 0.84 | — | — | |
| SCHEMBL19273395 | 0.78 | — | — | |
| SCHEMBL24073338 | 0.75 | ADH1B (0.35) | — | |
| SCHEMBL23987179 | 0.75 | — | — | |
| SCHEMBL19047185 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL18487367 | 0.69 | — | — | |
| SCHEMBL15114149 | 0.69 | — | — | |
| SCHEMBL15114160 | 0.68 | — | — | |
| SCHEMBL485490 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL10489946 | 0.67 | TSHR (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3649167-B1 | MIXTURE OF RADICAL CURABLE COMPOUNDS AND THEIR USE | HILTI AG (LI) | 2021-05-26 | — | — | EP | disclosed |