⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25753375 | 1.00 | — | — | |
| SCHEMBL17233146 | 0.91 | FBP1 (0.31) | — | |
| SCHEMBL17243756 | 0.91 | FBP1 (0.31) | — | |
| SCHEMBL15212873 | 0.91 | FBP1 (0.31) | — | |
| SCHEMBL17233148 | 0.91 | FBP1 (0.31) | — | |
| SCHEMBL17233211 | 0.91 | FBP1 (0.31) | — | |
| SCHEMBL16341666 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL30360139 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL16341663 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL18854456 | 0.87 | PTGS1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192661-A1 | 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE | UBE CORPORATION (JP) | 2023-06-22 | — | — | US | disclosed |
| US-20230192661-A1 | 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE | UBE CORPORATION (JP) | 2023-06-22 | — | — | US | disclosed |
| WO-2021230325-A1 | 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE | 宇部興産株式会社 | 2021-11-18 | — | — | WO | disclosed |