⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347195 | 0.77 | — | — | |
| SCHEMBL28960623 | 0.72 | — | — | |
| Propene SCHEMBL31494882 | 0.71 | — | — | |
| SCHEMBL28909673 | 0.70 | CYP3A4 (0.31) | — | |
| Bromide SCHEMBL6129607 | 0.70 | — | — | |
| Bromide SCHEMBL6129608 | 0.70 | — | — | |
| Ethylene SCHEMBL31549513 | 0.69 | — | — | |
| SCHEMBL122502 | 0.69 | — | — | |
| SCHEMBL28006791 | 0.69 | CA2 (0.46) | — | |
| SCHEMBL10012397 | 0.67 | — | — |
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-115448947-A | Halogenated phosphate containing branched chain, preparation method and application thereof | 恒大新能源技术(深圳)有限公司 | 2022-12-09 | — | — | CN | disclosed |