⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078938 | 0.87 | PTGS1 (0.35) | — | |
| SCHEMBL35763 | 0.87 | PTGS1 (0.35) | — | |
| SCHEMBL23242898 | 0.85 | PTGS1 (0.33) | — | |
| SCHEMBL29538945 | 0.85 | CYP2D6 (0.35) | — | |
| Water SCHEMBL8593341 | 0.83 | PTGS1 (0.32) | — | |
| SCHEMBL11237901 | 0.78 | EPHX2 (0.32) | — | |
| SCHEMBL8553870 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL7950547 | 0.75 | LMNA (0.35) | — | |
| SCHEMBL26137897 | 0.75 | — | — | |
| SCHEMBL97942 | 0.75 | APP (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6923978-B2 | Multilayer materials | NOVARTIS AG (CH) | 2005-08-02 | — | — | US | disclosed |
| US-20030175325-A1 | Multilayer materials | NOVARTIS AG (CH) | 2003-09-18 | — | — | US | disclosed |
| EP-1060753-A2 | Multilayer materials | Novartis AG (CH) | 2000-12-20 | — | — | EP | disclosed |