⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30967521 | 1.00 | — | — | |
| SCHEMBL30967641 | 0.89 | KIFC1 (0.31) | — | |
| SCHEMBL30967635 | 0.88 | GPR119 (0.30) | — | |
| SCHEMBL30967622 | 0.86 | HDAC1 (0.31) | — | |
| SCHEMBL30967660 | 0.86 | HDAC1 (0.31) | — | |
| SCHEMBL30967523 | 0.80 | STAT3 (0.31) | — | |
| SCHEMBL30967624 | 0.80 | BTK (0.33) | — | |
| SCHEMBL30967538 | 0.80 | CACNA2D1 (0.32) | — | |
| SCHEMBL30967454 | 0.78 | — | — | |
| SCHEMBL30967562 | 0.78 | — | — |
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 |