⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27283374 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL9653242 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL3904518 | 0.69 | — | — | |
| SCHEMBL9938434 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL480879 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL7440129 | 0.61 | — | — | |
| Water SCHEMBL8221745 | 0.61 | — | — | |
| SCHEMBL27298913 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL7962187 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL4256336 | 0.58 | P2RX4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569935-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | Aventis Pharma S.A. (FR) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052891-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2004-06-24 | — | — | WO | disclosed |
| US-5859007-A | TREATMENT OF DIABETES, OBESITY | GLAXO WELLCOME INC. (US) | 1999-01-12 | — | — | US | disclosed |