⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16914417 | 1.00 | — | — | |
| SCHEMBL20571856 | 1.00 | — | — | |
| SCHEMBL22799054 | 1.00 | — | — | |
| SCHEMBL20571857 | 1.00 | — | — | |
| SCHEMBL30296041 | 1.00 | — | — | |
| SCHEMBL18330203 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL31184432 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL22084450 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL20571735 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL16925343 | 0.86 | USP2 (0.37) | — |
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 |