⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11160589 | 0.83 | — | — | |
| SCHEMBL1974532 | 0.78 | LPAR2 (0.34) | — | |
| SCHEMBL1358739 | 0.78 | LPAR2 (0.31) | — | |
| SCHEMBL28909641 | 0.77 | — | — | |
| SCHEMBL11312224 | 0.76 | — | — | |
| SCHEMBL11315152 | 0.75 | — | — | |
| SCHEMBL11309359 | 0.74 | — | — | |
| SCHEMBL28909683 | 0.74 | — | — | |
| SCHEMBL4098213 | 0.72 | — | — | |
| SCHEMBL11737238 | 0.71 | PPARD (0.37) | — |
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 |