⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20039935 | 0.71 | — | — | |
| SCHEMBL20131245 | 0.63 | — | — | |
| SCHEMBL9616056 | 0.57 | — | — | |
| SCHEMBL19265208 | 0.57 | — | — | |
| SCHEMBL18433148 | 0.56 | — | — | |
| SCHEMBL21711530 | 0.51 | ADRA2A (0.33) | — | |
| SCHEMBL18755161 | 0.50 | — | — | |
| SCHEMBL30285965 | 0.50 | — | — | |
| SCHEMBL22477306 | 0.49 | — | — | |
| SCHEMBL23544592 | 0.48 | — | — |
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-2890744-B1 | FLAME-RETARDANT BENZOXAZINE-CONTAINING COMPOSITION | HENKEL AG & CO KGAA (DE) | 2021-02-17 | — | — | EP | disclosed |