⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23658731 | 0.82 | MOGAT2 (0.32) | — | |
| SCHEMBL23658637 | 0.74 | — | — | |
| SCHEMBL21624193 | 0.68 | TGM2 (0.33) | — | |
| SCHEMBL23647757 | 0.68 | — | — | |
| SCHEMBL21624325 | 0.67 | — | — | |
| SCHEMBL30668453 | 0.67 | — | — | |
| SCHEMBL24767243 | 0.66 | CYP11B2 (0.32) | — | |
| SCHEMBL21624363 | 0.65 | — | — | |
| SCHEMBL30668480 | 0.65 | — | — | |
| SCHEMBL21624319 | 0.65 | NR3C1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220396578-A1 | QUINOXALINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2022-12-15 | — | — | US | disclosed |
| WO-2021144439-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2021-07-22 | — | — | WO | disclosed |