⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909645 | 0.85 | HTT (0.31) | — | |
| SCHEMBL6048123 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL28909638 | 0.76 | — | — | |
| SCHEMBL8522169 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL11498890 | 0.72 | FDPS (0.42) | — | |
| SCHEMBL15243171 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL1101394 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL6049139 | 0.70 | LPAR1 (0.39) | — | |
| SCHEMBL10955142 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL19212018 | 0.69 | LPAR2 (0.31) | — |
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 |