⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15069877 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL18267816 | 0.76 | — | — | |
| SCHEMBL19721628 | 0.75 | — | — | |
| SCHEMBL18373693 | 0.71 | — | — | |
| SCHEMBL15827023 | 0.70 | — | — | |
| SCHEMBL15069905 | 0.69 | — | — | |
| SCHEMBL2603156 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL19214660 | 0.68 | CA12 (0.31) | — | |
| SCHEMBL18843159 | 0.67 | — | — | |
| SCHEMBL19005905 | 0.67 | — | — |
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-3142160-A1 | SEMICONDUCTOR ELEMENT AND INSULATING LAYER-FORMING COMPOSITION | Fujifilm Corporation (JP) | 2017-03-15 | — | — | EP | disclosed |