⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27386414 | 0.92 | — | — | |
| SCHEMBL77383 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL27949717 | 0.67 | — | — | |
| SCHEMBL17525156 | 0.65 | — | — | |
| SCHEMBL10525279 | 0.65 | — | — | |
| SCHEMBL21205292 | 0.65 | — | — | |
| SCHEMBL812833 | 0.65 | — | — | |
| SCHEMBL577412 | 0.65 | — | — | |
| SCHEMBL23888860 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL284611 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011036074-A1 | AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-03-31 | — | — | WO | disclosed |
| EP-2035427-A2 | PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST | Mitsubishi Tanabe Pharma Corporation (JP) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008004698-A2 | PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-01-10 | — | — | WO | disclosed |