⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2387121 | 0.78 | — | — | |
| SCHEMBL935395 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1806679 | 0.72 | — | — | |
| SCHEMBL3512318 | 0.63 | — | — | |
| SCHEMBL7274223 | 0.63 | — | — | |
| SCHEMBL2936999 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL7447553 | 0.60 | — | — | |
| SCHEMBL3630412 | 0.60 | — | — | |
| SCHEMBL2723822 | 0.60 | — | — | |
| SCHEMBL616020 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399444-B1 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | NOVEXEL (FR) | 2007-04-11 | — | — | EP | disclosed |