⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25402476 | 0.77 | — | — | |
| SCHEMBL11999814 | 0.77 | — | — | |
| SCHEMBL6982115 | 0.77 | — | — | |
| SCHEMBL29503544 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL1655827 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL16289411 | 0.74 | — | — | |
| SCHEMBL1282140 | 0.73 | — | — | |
| SCHEMBL13117471 | 0.73 | — | — | |
| SCHEMBL5170675 | 0.73 | — | — | |
| SCHEMBL29025153 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024183806-A1 | COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2024-09-12 | — | — | WO | disclosed |
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |