⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9569568 | 0.94 | — | — | |
| SCHEMBL9569718 | 0.87 | — | — | |
| SCHEMBL9569589 | 0.86 | — | — | |
| SCHEMBL9569437 | 0.85 | — | — | |
| SCHEMBL9569497 | 0.85 | — | — | |
| SCHEMBL9569494 | 0.81 | ACACB (0.30) | — | |
| SCHEMBL9569476 | 0.72 | — | — | |
| SCHEMBL9569516 | 0.69 | — | — | |
| SCHEMBL9569630 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL2199583 | 0.63 | KDM4E (0.42) | — |
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-0532423-A1 | Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-03-17 | — | — | EP | disclosed |