⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13616233 | 0.73 | — | — | |
| SCHEMBL21745746 | 0.68 | — | — | |
| SCHEMBL14385941 | 0.66 | — | — | |
| SCHEMBL14959440 | 0.65 | — | — | |
| SCHEMBL12729064 | 0.65 | — | — | |
| SCHEMBL24933549 | 0.65 | — | — | |
| SCHEMBL22043633 | 0.65 | — | — | |
| SCHEMBL19904980 | 0.64 | — | — | |
| SCHEMBL21316024 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL18792355 | 0.61 | — | — |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |