⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10823196 | 0.78 | — | — | |
| SCHEMBL7660263 | 0.74 | CA2 (0.33) | — | |
| SCHEMBL1819524 | 0.73 | — | — | |
| SCHEMBL26613869 | 0.71 | — | — | |
| SCHEMBL7248422 | 0.71 | — | — | |
| SCHEMBL28795920 | 0.71 | PTGS1 (0.41) | — | |
| SCHEMBL5212947 | 0.71 | — | — | |
| SCHEMBL224712 | 0.71 | — | — | |
| SCHEMBL28032745 | 0.71 | PTGS1 (0.41) | — | |
| SCHEMBL10828296 | 0.71 | PTGS1 (0.41) | — |
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-3645516-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | Janssen Pharmaceutica NV (BE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019001420-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-03 | — | — | WO | disclosed |