⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30573064 | 0.81 | PARP1 (0.35) | — | |
| SCHEMBL26607353 | 0.81 | PARP1 (0.35) | — | |
| SCHEMBL26606968 | 0.79 | JAK2 (0.31) | — | |
| SCHEMBL26676234 | 0.76 | KMT2A (0.34) | — | |
| SCHEMBL30572985 | 0.76 | PIK3CD (0.30) | — | |
| SCHEMBL26607212 | 0.76 | PIK3CD (0.30) | — | |
| SCHEMBL26606914 | 0.75 | ABL1 (0.32) | — | |
| SCHEMBL26607210 | 0.74 | F2 (0.31) | — | |
| SCHEMBL26607096 | 0.74 | — | — | |
| SCHEMBL26607020 | 0.74 | KDM5A (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 4 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 |
| US-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | disclosed |
| US-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | disclosed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |