⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26601855 | 0.81 | SCN9A (0.36) | — | |
| SCHEMBL30624488 | 0.77 | EIF4E (0.33) | — | |
| SCHEMBL26602678 | 0.77 | KDM5B (0.33) | — | |
| SCHEMBL30624550 | 0.76 | KMO (0.35) | — | |
| SCHEMBL26601926 | 0.76 | KMO (0.35) | — | |
| SCHEMBL30624548 | 0.75 | JAK2 (0.31) | — | |
| SCHEMBL26602270 | 0.75 | JAK2 (0.31) | — | |
| SCHEMBL26601592 | 0.74 | EZH2 (0.36) | — | |
| SCHEMBL31747833 | 0.74 | SIRT1 (0.33) | — | |
| SCHEMBL26601879 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250388541-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | disclosed |
| EP-4511117-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | Vertex Pharmaceuticals Incorporated (US) | 2025-02-26 | — | — | EP | disclosed |
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |