⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12886913 | 1.00 | — | — | |
| SCHEMBL88691 | 0.91 | PDK1 (0.32) | — | |
| SCHEMBL13162844 | 0.91 | PDK1 (0.32) | — | |
| SCHEMBL13115855 | 0.83 | SLC18A2 (0.31) | — | |
| SCHEMBL13634410 | 0.83 | SLC18A2 (0.31) | — | |
| SCHEMBL24272805 | 0.80 | GBA1 (0.33) | — | |
| SCHEMBL13412836 | 0.78 | SLC18A2 (0.31) | — | |
| SCHEMBL25982055 | 0.78 | MMP3 (0.30) | — | |
| SCHEMBL24272712 | 0.78 | — | — | |
| SCHEMBL15832392 | 0.77 | ADORA2A (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023205251-A1 | COMPOUNDS ACTIVE TOWARDS BROMODOMAINS | NUEVOLUTION A/S (DK) | 2023-10-26 | — | — | WO | disclosed |
| US-20090137597-A1 | Novel quinoxalinone derivatives | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-7388010-B2 | Quinoxalinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-06-17 | — | — | US | disclosed |