⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31089318 | 1.00 | — | — | |
| SCHEMBL25753413 | 0.90 | GPR3 (0.31) | — | |
| SCHEMBL24037132 | 0.90 | GPR3 (0.31) | — | |
| SCHEMBL4934471 | 0.88 | GPR3 (0.32) | — | |
| SCHEMBL4934477 | 0.88 | GPR3 (0.32) | — | |
| SCHEMBL16971774 | 0.83 | — | — | |
| SCHEMBL16679095 | 0.83 | — | — | |
| SCHEMBL23583789 | 0.83 | — | — | |
| SCHEMBL16679098 | 0.83 | — | — | |
| SCHEMBL16971772 | 0.83 | — | — |
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-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |