⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18505675 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL18656561 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL7937981 | 0.75 | — | — | |
| SCHEMBL14190707 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL18943863 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL23764803 | 0.73 | — | — | |
| SCHEMBL13679430 | 0.73 | MGAM (0.32) | — | |
| SCHEMBL20197678 | 0.72 | — | — | |
| SCHEMBL14220271 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL20824993 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010030967-A1 | 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS | WYETH LLC (US) | 2010-03-18 | — | — | WO | disclosed |