⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26606878 | 1.00 | — | — | |
| SCHEMBL26607328 | 0.87 | LPL (0.31) | — | |
| SCHEMBL26607099 | 0.77 | LPL (0.33) | — | |
| SCHEMBL26601922 | 0.76 | LPL (0.33) | — | |
| SCHEMBL26601739 | 0.75 | — | — | |
| SCHEMBL30572991 | 0.75 | — | — | |
| SCHEMBL26607090 | 0.73 | LPL (0.31) | — | |
| SCHEMBL30573068 | 0.73 | LPL (0.31) | — | |
| SCHEMBL26601768 | 0.73 | — | — | |
| SCHEMBL30573058 | 0.70 | CYP2C9 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4511114-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | Vertex Pharmaceuticals Incorporated (US) | 2025-02-26 | — | — | EP | disclosed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |