⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3629190 | 1.00 | — | — | |
| SCHEMBL11306338 | 0.80 | SORD (0.37) | — | |
| SCHEMBL8570860 | 0.77 | — | — | |
| SCHEMBL847914 | 0.77 | — | — | |
| SCHEMBL7352602 | 0.74 | — | — | |
| SCHEMBL19273295 | 0.74 | — | — | |
| SCHEMBL29419974 | 0.74 | HSP90AA1 (0.32) | — | |
| SCHEMBL14259035 | 0.72 | — | — | |
| SCHEMBL22549546 | 0.72 | HSP90AA1 (0.35) | — | |
| SCHEMBL3193562 | 0.72 | — | — |
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-1963401-A2 | OPTIMIZED ALKANOLAMINES FOR LATEX PAINTS | Taminco (BE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007078598-A2 | OPTIMIZED ALKANOLAMINES FOR LATEX PAINTS | TAMINCO (BE) | 2007-07-12 | — | — | WO | disclosed |