⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22014792 | 0.81 | KEAP1 (0.39) | — | |
| SCHEMBL22014790 | 0.76 | PAOX (0.41) | — | |
| SCHEMBL22015448 | 0.72 | ALOX15 (0.41) | — | |
| SCHEMBL4564530 | 0.67 | PAOX (0.47) | — | |
| SCHEMBL9801794 | 0.66 | KEAP1 (0.38) | — | |
| SCHEMBL24209013 | 0.65 | SIGMAR1 (0.41) | — | |
| SCHEMBL22779960 | 0.63 | ALOX15 (0.33) | — | |
| SCHEMBL20987338 | 0.63 | ALOX15 (0.43) | — | |
| SCHEMBL9801382 | 0.62 | ALOX15 (0.46) | — | |
| SCHEMBL13485582 | 0.61 | PAOX (0.39) | — |
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-2020099886-A1 | LOX INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2020-05-22 | — | — | WO | disclosed |