⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7569535 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL545267 | 0.67 | — | — | |
| SCHEMBL10882932 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL4959033 | 0.57 | — | — | |
| SCHEMBL10789275 | 0.57 | TSHR (0.32) | — | |
| Acrylic Acid SCHEMBL30920961 | 0.57 | LMNA (0.48) | — | |
| SCHEMBL19776742 | 0.57 | TSHR (0.39) | — | |
| SCHEMBL4242657 | 0.57 | TSHR (0.39) | — | |
| SCHEMBL4173304 | 0.55 | SLC6A2 (0.31) | — | |
| SCHEMBL8248485 | 0.55 | — | — |
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-1816212-A2 | Detection of genetic polymorphisms in genes associated with pharmacogenomics | Riken (JP) | 2007-08-08 | — | — | EP | disclosed |