⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2076964 | 0.86 | SUCNR1 (0.33) | — | |
| SCHEMBL28135314 | 0.80 | — | — | |
| SCHEMBL3452535 | 0.78 | POLB (0.32) | — | |
| SCHEMBL3452538 | 0.78 | POLB (0.32) | — | |
| SCHEMBL382211 | 0.72 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL67754 | 0.70 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL21581981 | 0.70 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL25907361 | 0.70 | — | — | |
| SCHEMBL18762858 | 0.69 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28643418 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3290413-B9 | PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS | ONO PHARMACEUTICAL CO (JP) | 2020-04-29 | — | — | EP | disclosed |
| EP-3290413-B1 | PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS | ONO PHARMACEUTICAL CO (JP) | 2019-11-13 | — | — | EP | disclosed |