⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1416129 | 0.76 | — | — | |
| SCHEMBL13625589 | 0.74 | — | — | |
| SCHEMBL21315003 | 0.70 | — | — | |
| SCHEMBL27385707 | 0.69 | TDP1 (0.36) | — | |
| SCHEMBL733426 | 0.67 | — | — | |
| SCHEMBL1098365 | 0.67 | — | — | |
| Propane SCHEMBL27404624 | 0.65 | — | — | |
| SCHEMBL1417239 | 0.65 | — | — | |
| SCHEMBL27670459 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL3468038 | 0.65 | — | — |
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-2008068507-A2 | 2 -PHENYLAMINO, 6- (PYRID-3-YL) QUINAZOLINE DERIVATIVES AS RAF-PROTEIN KINASE INHIBITORS IN CANCER TREATMENT | ASTRAZENECA AB (SE) | 2008-06-12 | — | — | WO | disclosed |