⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7265338 | 0.61 | — | — | |
| SCHEMBL31261580 | 0.54 | — | — | |
| SCHEMBL7433565 | 0.54 | — | — | |
| SCHEMBL32665728 | 0.54 | — | — | |
| SCHEMBL9476314 | 0.47 | — | — | |
| SCHEMBL6272478 | 0.47 | — | — | |
| SCHEMBL4590897 | 0.41 | — | — | |
| SCHEMBL11876929 | 0.41 | — | — | |
| SCHEMBL10338943 | 0.40 | — | — | |
| SCHEMBL14771417 | 0.37 | BACE1 (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-117980316-A | S-and SE-adenosyl-L-methionine analogues with active groups transferred to the target biomolecule by methyltransferases | 伯明翰大学 | 2024-05-03 | — | — | CN | disclosed |