⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3617450 | 0.78 | — | — | |
| SCHEMBL361187 | 0.78 | — | — | |
| SCHEMBL4948145 | 0.76 | — | — | |
| SCHEMBL8603543 | 0.76 | — | — | |
| SCHEMBL1059408 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL6758152 | 0.74 | POLB (0.30) | — | |
| SCHEMBL13075327 | 0.73 | — | — | |
| SCHEMBL11544540 | 0.71 | — | — | |
| SCHEMBL5144970 | 0.71 | — | — | |
| SCHEMBL22591362 | 0.70 | — | — |
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-1753727-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005110996-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-11-24 | — | — | WO | disclosed |