⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624384 | 1.00 | — | — | |
| SCHEMBL21624375 | 0.88 | CYP11B1 (0.30) | — | |
| SCHEMBL30006836 | 0.88 | CYP11B1 (0.30) | — | |
| SCHEMBL21624314 | 0.86 | — | — | |
| SCHEMBL21624324 | 0.85 | — | — | |
| SCHEMBL21624349 | 0.85 | AR (0.32) | — | |
| SCHEMBL21624388 | 0.83 | — | — | |
| SCHEMBL30006774 | 0.83 | — | — | |
| SCHEMBL23647727 | 0.80 | — | — | |
| SCHEMBL23658430 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |