⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9259692 | 0.74 | — | — | |
| SCHEMBL2456057 | 0.70 | — | — | |
| SCHEMBL16050325 | 0.67 | — | — | |
| SCHEMBL9861704 | 0.64 | — | — | |
| SCHEMBL18006572 | 0.61 | CYP1A2 (0.35) | — | |
| SCHEMBL18006573 | 0.61 | CYP1A2 (0.35) | — | |
| SCHEMBL8632056 | 0.61 | — | — | |
| SCHEMBL19878616 | 0.60 | — | — | |
| Alcohol SCHEMBL9222683 | 0.59 | — | — | |
| SCHEMBL2105532 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0823428-A2 | Neuraminic acid derivatives, their preparation and their medical use | SANKYO COMPANY LIMITED (JP) | 1998-02-11 | — | — | EP | disclosed |