⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5259780 | 1.00 | — | — | |
| SCHEMBL5185616 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL5257111 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL5252738 | 0.77 | HHAT (0.30) | — | |
| SCHEMBL5252734 | 0.77 | HHAT (0.30) | — | |
| SCHEMBL5258845 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL5258848 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL5253536 | 0.73 | — | — | |
| SCHEMBL5253534 | 0.73 | — | — | |
| SCHEMBL5187125 | 0.72 | CYP19A1 (0.37) | — |
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-1798231-A2 | Intermediate products for the preparation of antibacterial compounds | NOVEXEL (FR) | 2007-06-20 | — | — | EP | disclosed |
| 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 |