⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30967474 | 0.90 | SCN9A (0.32) | — | |
| SCHEMBL30967468 | 0.79 | — | — | |
| SCHEMBL30967466 | 0.74 | HRH3 (0.39) | — | |
| SCHEMBL30967631 | 0.69 | SCN9A (0.34) | — | |
| Hydrochloric Acid SCHEMBL30967494 | 0.68 | SCN9A (0.33) | — | |
| SCHEMBL30967529 | 0.67 | HRH3 (0.32) | — | |
| SCHEMBL30967533 | 0.65 | HRH3 (0.34) | — | |
| SCHEMBL30967583 | 0.65 | HRH3 (0.32) | — | |
| SCHEMBL30967486 | 0.65 | HRH3 (0.32) | — | |
| SCHEMBL30967485 | 0.62 | SCN9A (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-4615838-A1 | SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS | Merck Patent GmbH (DE) | 2025-09-17 | — | — | EP | disclosed |
| WO-2024099898-A1 | SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2024-05-16 | — | — | WO | disclosed |