⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25116950 | 1.00 | — | — | |
| SCHEMBL25115449 | 0.94 | PIK3CA (0.30) | — | |
| SCHEMBL25116872 | 0.94 | PIK3CA (0.30) | — | |
| SCHEMBL25115372 | 0.94 | CTSA (0.33) | — | |
| SCHEMBL25115365 | 0.94 | CTSA (0.33) | — | |
| SCHEMBL24984874 | 0.92 | IP6K1 (0.32) | — | |
| SCHEMBL24984878 | 0.92 | IP6K1 (0.32) | — | |
| SCHEMBL25115615 | 0.92 | CNR2 (0.31) | — | |
| SCHEMBL25115653 | 0.92 | CNR2 (0.31) | — | |
| SCHEMBL25115698 | 0.92 | CTSA (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 |
|---|---|---|---|---|---|---|---|
| US-20230108803-A1 | ANTIVIRAL HETEROCYCLIC COMPOUNDS | ENANTA PHARMACEUTICALS, INC. | 2023-04-06 | — | — | US | disclosed |