⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22564880 | 0.85 | HRH3 (0.37) | — | |
| SCHEMBL25081880 | 0.75 | HRH3 (0.33) | — | |
| SCHEMBL25081870 | 0.75 | HRH3 (0.33) | — | |
| SCHEMBL681129 | 0.74 | — | — | |
| SCHEMBL8440295 | 0.73 | HRH3 (0.30) | — | |
| SCHEMBL18775340 | 0.72 | — | — | |
| SCHEMBL146590 | 0.72 | — | — | |
| SCHEMBL21146444 | 0.72 | CHRM2 (0.40) | — | |
| SCHEMBL18591098 | 0.70 | — | — | |
| SCHEMBL12026450 | 0.70 | HRH3 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023275199-A1 | MACROCYCLIC TAK1 INHIBITORS | AQILION AB (SE) | 2023-01-05 | — | — | WO | disclosed |