⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28905155 | 0.97 | — | — | |
| SCHEMBL4429727 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL136628 | 0.75 | — | — | |
| SCHEMBL25553934 | 0.73 | — | — | |
| SCHEMBL28006717 | 0.73 | — | — | |
| SCHEMBL20657071 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL6490904 | 0.71 | CA2 (0.37) | — | |
| Acetic Acid SCHEMBL584459 | 0.71 | FFAR3 (0.47) | — | |
| SCHEMBL10717416 | 0.71 | CA5A (0.31) | — | |
| SCHEMBL19249289 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022158442-A1 | RADIOACTIVE HALOGEN-LABELED PRECURSOR COMPOUND | 国立大学法人東京工業大学 | 2022-07-28 | — | — | WO | disclosed |