⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20820647 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL3437268 | 0.79 | — | — | |
| SCHEMBL3485148 | 0.79 | — | — | |
| SCHEMBL17643537 | 0.74 | — | — | |
| SCHEMBL17614060 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL18868895 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL13776554 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL20033915 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL12768227 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL22341596 | 0.67 | CES2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323017-A1 | LASER-ABLATABLE MASK FILM | Flint Group Germany GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |