⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21745837 | 0.74 | — | — | |
| SCHEMBL21746904 | 0.72 | HPGD (0.33) | — | |
| SCHEMBL21747045 | 0.70 | HPGD (0.32) | — | |
| SCHEMBL15883821 | 0.69 | HPGD (0.34) | — | |
| SCHEMBL17267164 | 0.69 | HPGD (0.34) | — | |
| SCHEMBL17247808 | 0.66 | DGAT1 (0.35) | — | |
| SCHEMBL21745861 | 0.66 | HPGD (0.32) | — | |
| SCHEMBL21745886 | 0.66 | HPGD (0.33) | — | |
| SCHEMBL21745853 | 0.65 | HPGD (0.32) | — | |
| SCHEMBL21746953 | 0.65 | HPGD (0.32) | — |
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 |