⚠ 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 | |
|---|---|---|---|---|
| Pyrophosphoric Acid SCHEMBL8851914 | 1.00 | FDPS (1.00) | — | |
| Pyrophosphoric Acid SCHEMBL3654 | 1.00 | — | — | |
| Pyrophosphoric Acid SCHEMBL292348 | 1.00 | FDPS (1.00) | — | |
| Pyrophosphoric Acid SCHEMBL468667 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL21145230 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL23537580 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL57948 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL21433694 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL596848 | 0.95 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL11799029 | 0.95 | FDPS (0.91) | — |
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-3514149-B1 | HETEROCYCLIC AMIDE COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2022-05-18 | — | — | EP | disclosed |