⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4852756 | 0.88 | GAA (0.48) | — | |
| SCHEMBL4852762 | 0.88 | GAA (0.48) | — | |
| SCHEMBL28613445 | 0.87 | GAA (0.39) | — | |
| SCHEMBL132383 | 0.87 | HCAR2 (0.52) | — | |
| SCHEMBL15329454 | 0.85 | GAA (0.38) | — | |
| Water SCHEMBL8356208 | 0.85 | HCAR2 (0.50) | — | |
| SCHEMBL19612450 | 0.85 | HCAR2 (0.50) | — | |
| Water SCHEMBL4421329 | 0.85 | HCAR2 (0.50) | — | |
| SCHEMBL27824036 | 0.85 | HCAR2 (0.46) | — | |
| SCHEMBL9681828 | 0.84 | GAA (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1267797-B1 | TWO-COMPONENT DENTAL MATERIALS HAVING A LOW SETTING TEMPERATURE | 3M ESPE AG (DE) | 2005-08-24 | — | — | EP | claimed |
| EP-1659157-A1 | intumescent powder coating | Horacek, Heinrich (AT) | 2006-05-24 | — | — | EP | disclosed |