⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28937564 | 0.74 | — | — | |
| SCHEMBL28461281 | 0.61 | CTSA (0.36) | — | |
| SCHEMBL11171746 | 0.59 | — | — | |
| SCHEMBL28909703 | 0.57 | — | — | |
| SCHEMBL20622844 | 0.57 | CTSA (0.33) | — | |
| SCHEMBL10933358 | 0.57 | TP53 (0.33) | — | |
| SCHEMBL23671129 | 0.56 | — | — | |
| SCHEMBL24839341 | 0.55 | — | — | |
| SCHEMBL3342051 | 0.54 | CTSA (0.31) | — | |
| SCHEMBL23683729 | 0.53 | — | — |
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 |