⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL839496 | 0.88 | CA1 (0.32) | — | |
| SCHEMBL839495 | 0.88 | CA1 (0.32) | — | |
| SCHEMBL1848452 | 0.81 | — | — | |
| SCHEMBL3122722 | 0.81 | — | — | |
| SCHEMBL840025 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL838764 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL838763 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL839128 | 0.72 | — | — | |
| SCHEMBL839127 | 0.72 | — | — | |
| SCHEMBL15369672 | 0.70 | CA1 (0.39) | — |
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-8143263-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| EP-2324028-A2 | THERAPEUTIC AGENTS 414 | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |