⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29272027 | 0.73 | LMNA (0.35) | — | |
| SCHEMBL19859271 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL3119290 | 0.70 | — | — | |
| SCHEMBL1067729 | 0.70 | LMNA (0.32) | — | |
| Water SCHEMBL19859276 | 0.70 | LMNA (0.37) | — | |
| SCHEMBL714443 | 0.69 | LMNA (0.45) | — | |
| SCHEMBL27495299 | 0.67 | LMNA (0.43) | — | |
| SCHEMBL355846 | 0.67 | — | — | |
| SCHEMBL3667694 | 0.67 | — | — | |
| SCHEMBL29381616 | 0.66 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401422-B1 | HALOGENATED COMPOSITION, METHOD FOR PREPARING SAME AND USES THEREOF | MAINNEMARE ARNAUD (FR) | 2007-04-04 | — | — | EP | disclosed |
| EP-1401422-A2 | HALOGENATED COMPOSITION, METHOD FOR PREPARING SAME AND USES THEREOF | Mainnemare, Arnaud (FR) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002058692-A9 | HALOGENATED COMPOSITION, METHOD FOR PREPARING SAME AND USES THEREOF | MAINNEMARE ARNAUD (FR) | 2003-03-06 | — | — | WO | disclosed |
| WO-2002058692-A2 | HALOGENATED COMPOSITION, METHOD FOR PREPARING SAME AND USES THEREOF | MAINNEMARE ARNAUD (FR) | 2002-08-01 | — | — | WO | disclosed |