⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21468437 | 0.71 | — | — | |
| SCHEMBL108349 | 0.71 | — | — | |
| SCHEMBL1650987 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL27754350 | 0.70 | — | — | |
| SCHEMBL2497209 | 0.69 | — | — | |
| SCHEMBL617774 | 0.69 | — | — | |
| SCHEMBL3430010 | 0.69 | — | — | |
| SCHEMBL16654135 | 0.69 | — | — | |
| Trimethylammonium SCHEMBL27754502 | 0.69 | — | — | |
| SCHEMBL28280486 | 0.67 | — | — |
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-1811006-B1 | Adhesive system | PURBOND AG (CH) | 2009-03-04 | — | — | EP | disclosed |
| EP-1811006-A1 | Adhesive system | Purbond AG (CH) | 2007-07-25 | — | — | EP | disclosed |