⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28370552 | 0.77 | — | — | |
| SCHEMBL11425589 | 0.77 | — | — | |
| SCHEMBL28366101 | 0.72 | — | — | |
| SCHEMBL28370861 | 0.72 | — | — | |
| SCHEMBL1576596 | 0.68 | — | — | |
| SCHEMBL18628713 | 0.65 | CA1 (0.30) | — | |
| SCHEMBL28366642 | 0.65 | — | — | |
| Hydrogen Peroxide SCHEMBL16402637 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL30185 | 0.64 | — | — | |
| SCHEMBL87649 | 0.64 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563764-A | electrolyte flame-retardant additive and preparation method and application thereof | 恒大新能源科技集团有限公司 | 2019-12-13 | — | — | CN | disclosed |