⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18349201 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL319360 | 0.71 | — | — | |
| SCHEMBL319359 | 0.71 | — | — | |
| SCHEMBL14712303 | 0.71 | — | — | |
| SCHEMBL115741 | 0.71 | FFAR3 (0.41) | — | |
| Chloromethane SCHEMBL28176568 | 0.70 | GRIK1 (0.38) | — | |
| Pivalate SCHEMBL31298532 | 0.70 | CD81 (0.36) | — | |
| SCHEMBL7684976 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL17819 | 0.69 | — | — | |
| SCHEMBL10345101 | 0.69 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0762197-B1 | Photographic recording material | AGFA GEVAERT AG (DE) | 2000-01-12 | — | — | EP | disclosed |
| EP-0762197-A1 | Photographic recording material | Agfa-Gevaert AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| EP-0666498-A2 | Silver halide photographic material | Agfa-Gevaert AG (DE) | 1995-08-09 | — | — | EP | disclosed |