⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5394764 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL5399061 | 0.79 | ORAI1 (0.36) | — | |
| SCHEMBL2102659 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL2100205 | 0.68 | KCNN4 (0.37) | — | |
| SCHEMBL76000 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL9763697 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL7180015 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL9979264 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL38744 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL197123 | 0.66 | TSHR (0.39) | — |
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-1317462-B1 | SILICOBORONCARBONITRIDE CERAMICS AND PRECURSOR COMPOUNDS, METHOD FOR THE PRODUCTION AND USE THEREOF | MAX PLANCK GESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |