⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26676180 | 1.00 | — | — | |
| SCHEMBL26676094 | 1.00 | — | — | |
| SCHEMBL30695346 | 1.00 | — | — | |
| SCHEMBL26606949 | 1.00 | — | — | |
| SCHEMBL30572997 | 1.00 | — | — | |
| SCHEMBL30695319 | 1.00 | — | — | |
| SCHEMBL30573024 | 0.89 | PRKAB2 (0.31) | — | |
| SCHEMBL26607362 | 0.89 | PRKAB2 (0.31) | — | |
| SCHEMBL30572975 | 0.89 | JAK2 (0.30) | — | |
| SCHEMBL26607313 | 0.89 | JAK2 (0.30) | — |
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-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | disclosed |