⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20352057 | 0.74 | — | — | |
| SCHEMBL24220411 | 0.69 | PAICS (0.55) | — | |
| SCHEMBL20352121 | 0.68 | PAICS (0.36) | — | |
| SCHEMBL24220536 | 0.66 | PAICS (0.43) | — | |
| SCHEMBL20352137 | 0.66 | PAICS (0.43) | — | |
| SCHEMBL20352066 | 0.65 | PAICS (0.45) | — | |
| SCHEMBL20339079 | 0.63 | PAICS (0.43) | — | |
| SCHEMBL24220478 | 0.62 | PAICS (0.49) | — | |
| SCHEMBL20352089 | 0.62 | PAICS (0.49) | — | |
| SCHEMBL24220529 | 0.62 | PAICS (0.49) | — |
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-2018122549-A1 | OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | LIFEARC (GB) | 2018-07-05 | — | — | WO | disclosed |