⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1509853 | 0.69 | — | — | |
| SCHEMBL41851 | 0.69 | — | — | |
| SCHEMBL14709910 | 0.69 | TDP2 (0.33) | — | |
| SCHEMBL407972 | 0.67 | — | — | |
| Water SCHEMBL7264692 | 0.67 | TDP2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10924919 | 0.66 | — | — | |
| SCHEMBL13343472 | 0.66 | SRC (0.38) | — | |
| SCHEMBL16366820 | 0.65 | — | — | |
| SCHEMBL15930786 | 0.65 | — | — | |
| SCHEMBL14964727 | 0.65 | TDP2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1706384-A1 | THERAPEUTIC AGENTS I | AstraZeneca AB (SE) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005066132-A1 | THERAPEUTIC AGENTS I | ASTRAZENECA AB (SE) | 2005-07-21 | — | — | WO | disclosed |