⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162801 | 0.78 | — | — | |
| SCHEMBL17309773 | 0.69 | — | — | |
| SCHEMBL1253492 | 0.68 | — | — | |
| SCHEMBL9704878 | 0.68 | — | — | |
| SCHEMBL3266779 | 0.68 | — | — | |
| SCHEMBL2482935 | 0.65 | GGPS1 (0.30) | — | |
| SCHEMBL14675185 | 0.65 | PTGS1 (0.31) | — | |
| SCHEMBL6260932 | 0.65 | S1PR1 (0.38) | — | |
| SCHEMBL628929 | 0.65 | DGAT1 (0.42) | — | |
| SCHEMBL12951382 | 0.64 | — | — |
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-1639987-B1 | Dental adhesive composition | 3M ESPE AG (DE) | 2009-08-12 | — | — | EP | claimed |
| EP-1498098-B1 | Adhesive composition with decreased polarity upon polymerization | 3M ESPE AG (DE) | 2006-05-03 | — | — | EP | claimed |