⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29201556 | 0.84 | — | — | |
| SCHEMBL560564 | 0.80 | — | — | |
| SCHEMBL11262425 | 0.78 | — | — | |
| SCHEMBL29201585 | 0.74 | — | — | |
| SCHEMBL9903947 | 0.74 | — | — | |
| SCHEMBL3482295 | 0.72 | HSD17B10 (0.33) | — | |
| SCHEMBL561371 | 0.72 | — | — | |
| SCHEMBL1821349 | 0.72 | HSD17B10 (0.33) | — | |
| SCHEMBL29201608 | 0.71 | — | — | |
| SCHEMBL28125247 | 0.71 | HSD17B10 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115353668-B | Halogen-free smoke-suppressing flame retardant and preparation method thereof | 广西新晶科技有限公司 | 2023-06-16 | — | — | CN | disclosed |