⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22799231 | 1.00 | — | — | |
| SCHEMBL22799234 | 1.00 | — | — | |
| SCHEMBL28804351 | 0.85 | USP2 (0.39) | — | |
| SCHEMBL29715682 | 0.85 | USP2 (0.39) | — | |
| SCHEMBL28804350 | 0.85 | USP2 (0.39) | — | |
| SCHEMBL19640998 | 0.76 | — | — | |
| SCHEMBL19640997 | 0.76 | — | — | |
| SCHEMBL23826837 | 0.72 | — | — | |
| SCHEMBL23826992 | 0.72 | — | — | |
| SCHEMBL23024379 | 0.72 | GPR3 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3753941-B1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) | 2024-05-01 | — | — | EP | disclosed |
| US-11498930-B2 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | Blueray Therapeutics (Shanghai) Co., Ltd (CN) | 2022-11-15 | — | — | US | disclosed |
| US-20210053989-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) | 2021-02-25 | — | — | US | disclosed |
| EP-3753941-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Blueray Biopharma Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |