⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14813319 | 1.00 | — | — | |
| SCHEMBL14642043 | 0.87 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL22187119 | 0.87 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL27189642 | 0.85 | APEX1 (0.48) | — | |
| SCHEMBL21610956 | 0.83 | APEX1 (0.49) | — | |
| SCHEMBL22187118 | 0.81 | APEX1 (0.51) | — | |
| SCHEMBL4750923 | 0.81 | — | — | |
| SCHEMBL6416108 | 0.81 | — | — | |
| SCHEMBL5176320 | 0.81 | — | — | |
| SCHEMBL19696572 | 0.81 | — | — |
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-1951686-B1 | QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF | HANMI PHARM IND CO LTD (KR) | 2013-04-03 | — | — | EP | claimed |