⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20204541 | 0.76 | — | — | |
| SCHEMBL21746679 | 0.76 | — | — | |
| SCHEMBL24007892 | 0.75 | — | — | |
| SCHEMBL21737554 | 0.73 | — | — | |
| SCHEMBL18455072 | 0.72 | — | — | |
| SCHEMBL24598701 | 0.70 | — | — | |
| SCHEMBL16255599 | 0.70 | — | — | |
| SCHEMBL25095874 | 0.68 | — | — | |
| SCHEMBL23555201 | 0.68 | — | — | |
| SCHEMBL24898776 | 0.65 | — | — |
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 |