⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1117822 | 0.67 | — | — | |
| Water SCHEMBL8221742 | 0.65 | — | — | |
| SCHEMBL8397723 | 0.61 | — | — | |
| SCHEMBL9184398 | 0.61 | — | — | |
| SCHEMBL6209224 | 0.61 | — | — | |
| SCHEMBL2801118 | 0.61 | — | — | |
| Water SCHEMBL7805742 | 0.60 | — | — | |
| SCHEMBL2094171 | 0.59 | — | — | |
| SCHEMBL4166096 | 0.59 | — | — | |
| SCHEMBL8397086 | 0.59 | KDM4E (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399444-A2 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | Aventis Pharma S.A. (FR) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100860-A2 | HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2002-12-19 | — | — | WO | disclosed |