⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21288180 | 0.74 | — | — | |
| Bromide SCHEMBL27535807 | 0.72 | — | — | |
| SCHEMBL6371639 | 0.70 | — | — | |
| SCHEMBL4018549 | 0.70 | — | — | |
| SCHEMBL5962091 | 0.70 | — | — | |
| SCHEMBL7214023 | 0.70 | — | — | |
| SCHEMBL28812248 | 0.67 | — | — | |
| SCHEMBL6366102 | 0.67 | — | — | |
| SCHEMBL27375739 | 0.67 | — | — | |
| SCHEMBL10819002 | 0.66 | — | — |
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-12263171-B2 | 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME LLC (US) | 2025-04-01 | — | — | US | disclosed |
| US-20230054411-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2023-02-23 | — | — | US | disclosed |
| CN-114450005-A | Compounds for the treatment of neurological disorders | 星座制药公司 | 2022-05-06 | — | — | CN | disclosed |