⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13616720 | 0.76 | CACNA2D1 (0.43) | — | |
| SCHEMBL16572906 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL24355379 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL10439352 | 0.67 | — | — | |
| SCHEMBL10439349 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL27052687 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL905769 | 0.66 | — | — | |
| SCHEMBL25633435 | 0.64 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL21879614 | 0.63 | — | — | |
| SCHEMBL29249245 | 0.63 | — | — |
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-0897130-B1 | Thermographic recording element | FUJIFILM CORP (JP) | 2009-07-15 | — | — | EP | disclosed |