⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18584736 | 0.86 | — | — | |
| SCHEMBL195407 | 0.82 | ANPEP (0.33) | — | |
| SCHEMBL5035763 | 0.82 | — | — | |
| SCHEMBL11128978 | 0.80 | CA2 (0.31) | — | |
| SCHEMBL27567915 | 0.77 | — | — | |
| SCHEMBL23420617 | 0.76 | — | — | |
| SCHEMBL28305000 | 0.76 | — | — | |
| SCHEMBL227948 | 0.76 | CA2 (0.33) | — | |
| SCHEMBL29160731 | 0.76 | CA2 (0.33) | — | |
| SCHEMBL30838456 | 0.74 | CA12 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114773871-B | High-stability and high-flame-retardance composite elastomer material and preparation method thereof | 上海化工研究院有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-113402715-A | Novel phosphorus-nitrogen flame retardant and preparation method thereof | 江苏集萃先进高分子材料研究所有限公司 | 2021-09-17 | — | — | CN | disclosed |