⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3356115 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL2203074 | 0.79 | GRIK1 (0.35) | — | |
| SCHEMBL186781 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8512431 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL11711872 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL4537923 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL20081 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL3363683 | 0.76 | ALDH1A1 (0.37) | — | |
| Methacrylic Acid SCHEMBL8161913 | 0.75 | GRIK1 (0.33) | — | |
| SCHEMBL1515004 | 0.75 | ALDH1A1 (0.38) | — |
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-2185643-B1 | FLAME-RETARDANT ADDITIVES | HENKEL AG & CO KGAA (DE) | 2012-02-01 | — | — | EP | disclosed |