⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL325803 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL5879279 | 0.76 | TSHR (0.43) | — | |
| Water SCHEMBL27734811 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL14611297 | 0.73 | — | — | |
| SCHEMBL7982360 | 0.73 | — | — | |
| SCHEMBL28606113 | 0.71 | — | — | |
| SCHEMBL27939642 | 0.71 | — | — | |
| SCHEMBL17524669 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL1938740 | 0.71 | — | — | |
| SCHEMBL27921123 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016983-A1 | COATING SYSTEM CONTAINING (METH)ACRYLATE | SIKA TECHNOLOGY AG (CH) | 2005-02-24 | — | — | WO | disclosed |