⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4194302 | 0.59 | — | — | |
| SCHEMBL10780286 | 0.57 | MAOA (0.50) | — | |
| SCHEMBL21652373 | 0.57 | — | — | |
| SCHEMBL27723749 | 0.57 | TSHR (0.41) | — | |
| SCHEMBL8565178 | 0.56 | MAOA (0.35) | — | |
| SCHEMBL10964095 | 0.56 | ALOX15 (0.36) | — | |
| SCHEMBL17159758 | 0.56 | TSHR (0.35) | — | |
| SCHEMBL1355431 | 0.56 | TSHR (0.37) | — | |
| SCHEMBL31057525 | 0.55 | MAOA (0.32) | — | |
| SCHEMBL10955588 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756869-A | Ribonuclease targeting chimera-based nucleoside customizing method and application thereof in developing novel anti-RNA virus drugs | 武汉大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-101044123-A | Pyrimidine derivatives condensed with non-aromatic rings | ASTELLAS PHARMA INC (JP) | 2007-09-26 | — | — | CN | disclosed |