⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL933285 | 0.74 | — | — | |
| SCHEMBL4353518 | 0.74 | — | — | |
| SCHEMBL9782451 | 0.69 | — | — | |
| SCHEMBL3672693 | 0.69 | — | — | |
| SCHEMBL3155244 | 0.69 | — | — | |
| SCHEMBL9454514 | 0.68 | CYP4F2 (0.44) | — | |
| SCHEMBL23999388 | 0.67 | — | — | |
| SCHEMBL20376055 | 0.64 | BRS3 (0.31) | — | |
| SCHEMBL23048469 | 0.62 | ALDH1A1 (0.48) | — | |
| SCHEMBL1929652 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444210-B1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |