⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6255132 | 0.80 | LAP3 (0.30) | — | |
| SCHEMBL17709588 | 0.77 | MMP1 (0.32) | — | |
| SCHEMBL1378208 | 0.77 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5026575 | 0.74 | ACHE (0.30) | — | |
| SCHEMBL776263 | 0.73 | LAP3 (0.36) | — | |
| SCHEMBL11745106 | 0.71 | LAP3 (0.34) | — | |
| SCHEMBL1251447 | 0.71 | PPARD (0.35) | — | |
| SCHEMBL14777063 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL6258836 | 0.70 | PSIP1 (0.44) | — | |
| SCHEMBL2118428 | 0.70 | LAP3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5710138-A | Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |