⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20653173 | 0.85 | HDAC4 (0.30) | — | |
| SCHEMBL20653193 | 0.83 | HDAC4 (0.37) | — | |
| SCHEMBL20653058 | 0.81 | POLB (0.33) | — | |
| SCHEMBL19888515 | 0.78 | — | — | |
| SCHEMBL21733211 | 0.77 | SLC6A4 (0.31) | — | |
| SCHEMBL10159882 | 0.74 | KCNQ3 (0.33) | — | |
| SCHEMBL21322090 | 0.73 | PIK3CD (0.44) | — | |
| SCHEMBL20653171 | 0.73 | — | — | |
| SCHEMBL24463856 | 0.72 | ATM (0.44) | — | |
| SCHEMBL20314491 | 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 |
|---|---|---|---|---|---|---|---|
| US-20190016689-A1 | NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS | TRILLIUM THERAPEUTICS INC. (CA) | 2019-01-17 | — | — | US | disclosed |