⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27340900 | 0.84 | HSD17B10 (0.55) | — | |
| SCHEMBL28218046 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30020095 | 0.76 | UCHL1 (0.46) | — | |
| SCHEMBL27340905 | 0.73 | PARP1 (0.45) | — | |
| SCHEMBL20482097 | 0.73 | ALDH1A1 (0.49) | — | |
| SCHEMBL3001673 | 0.73 | ALDH1A1 (0.49) | — | |
| SCHEMBL20482428 | 0.73 | ALDH1A1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL27142179 | 0.72 | PARP1 (0.44) | — | |
| SCHEMBL13229 | 0.70 | CA2 (0.67) | — | |
| SCHEMBL13230 | 0.70 | CA2 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240217978-A1 | COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2024-07-04 | — | — | US | disclosed |
| EP-4326724-A1 | COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Chong Kun Dang Pharmaceutical Corp. (KR) | 2024-02-28 | — | — | EP | disclosed |