⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18988381 | 1.00 | — | — | |
| SCHEMBL28433443 | 0.74 | — | — | |
| SCHEMBL15090271 | 0.74 | — | — | |
| SCHEMBL31681707 | 0.67 | — | — | |
| SCHEMBL31407182 | 0.67 | — | — | |
| SCHEMBL19014412 | 0.67 | — | — | |
| SCHEMBL21585412 | 0.67 | — | — | |
| SCHEMBL20723392 | 0.65 | — | — | |
| SCHEMBL29631601 | 0.65 | — | — | |
| SCHEMBL744461 | 0.64 | — | — |
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-20260001877-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2026-01-01 | — | — | US | disclosed |