⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3648196 | 1.00 | — | — | |
| SCHEMBL138542 | 0.77 | — | — | |
| SCHEMBL7569812 | 0.77 | — | — | |
| SCHEMBL15702 | 0.77 | — | — | |
| SCHEMBL8927850 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL31195963 | 0.76 | — | — | |
| SCHEMBL6987586 | 0.74 | — | — | |
| SCHEMBL7632781 | 0.73 | — | — | |
| SCHEMBL9315415 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL11038081 | 0.69 | — | — |
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-4190795-A1 | COMPOUND, AND LABELED BIOLOGICAL SUBSTANCE IN WHICH SAME IS USED | FUJIFILM Corporation (JP) | 2023-06-07 | — | — | EP | disclosed |