⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15201716 | 0.72 | — | — | |
| SCHEMBL14105495 | 0.69 | — | — | |
| SCHEMBL4967169 | 0.68 | — | — | |
| SCHEMBL8082821 | 0.67 | — | — | |
| SCHEMBL18706250 | 0.65 | — | — | |
| SCHEMBL2050266 | 0.64 | — | — | |
| SCHEMBL14918974 | 0.56 | L3MBTL1 (0.33) | — | |
| SCHEMBL6563317 | 0.55 | KIF11 (0.41) | — | |
| SCHEMBL1325957 | 0.54 | — | — | |
| SCHEMBL350156 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010504-A1 | QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007119055-A1 | QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |
| EP-1597261-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004074290-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-02 | — | — | WO | disclosed |
| WO-1997042168-A1 | THIO DERIVATIVES OF HYDROXAMIC ACIDS | ZENECA LIMITED (GB) | 1997-11-13 | — | — | WO | disclosed |