⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1660487 | 0.90 | ALDH1A1 (0.39) | — | |
| SCHEMBL1660438 | 0.86 | ALDH1A1 (0.36) | — | |
| Bromide SCHEMBL2152381 | 0.82 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL11758995 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL11889715 | 0.70 | — | — | |
| SCHEMBL3063404 | 0.65 | — | — | |
| SCHEMBL2959256 | 0.63 | — | — | |
| SCHEMBL7914 | 0.63 | — | — | |
| SCHEMBL543079 | 0.61 | — | — | |
| SCHEMBL776460 | 0.61 | ALDH1A1 (0.31) | — |
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-2314579-A1 | Fast-curing benzoxazine compounds | Henkel AG & Co. KGaA (DE) | 2011-04-27 | — | — | EP | disclosed |