⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21746015 | 0.96 | F2 (0.32) | — | |
| SCHEMBL21746010 | 0.94 | F2 (0.35) | — | |
| SCHEMBL21746579 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL21746799 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL21746009 | 0.74 | BRD4 (0.33) | — | |
| SCHEMBL21746671 | 0.73 | — | — | |
| SCHEMBL21746793 | 0.72 | — | — | |
| SCHEMBL21746803 | 0.71 | — | — | |
| SCHEMBL5028216 | 0.66 | — | — | |
| SCHEMBL21746989 | 0.64 | — | — |
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 |