⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4745112 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL4745076 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL4746164 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL17766693 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL17766691 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL2474075 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL272858 | 0.78 | TDP1 (0.36) | — | |
| SCHEMBL25554530 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL25453161 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL19069934 | 0.75 | ALDH1A1 (0.39) | — |
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-3287459-B1 | PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF | GUIZHOU BAILING GROUP PHARMACEUTICAL CO LTD (CN) | 2020-09-02 | — | — | EP | disclosed |