⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25946339 | 0.91 | — | — | |
| SCHEMBL25946342 | 0.91 | — | — | |
| SCHEMBL25946648 | 0.83 | HRH3 (0.33) | — | |
| SCHEMBL26517461 | 0.81 | — | — | |
| SCHEMBL17269255 | 0.79 | KDM4E (0.41) | — | |
| SCHEMBL17269257 | 0.79 | KDM4E (0.41) | — | |
| SCHEMBL25946344 | 0.78 | TACR1 (0.35) | — | |
| SCHEMBL24996309 | 0.78 | — | — | |
| SCHEMBL27059050 | 0.77 | OPRL1 (0.34) | — | |
| SCHEMBL18859424 | 0.74 | — | — |
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-4223750-A1 | NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE | Asahi Kasei Pharma Corporation (JP) | 2023-08-09 | — | — | EP | disclosed |