⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12487953 | 0.71 | — | — | |
| SCHEMBL420892 | 0.67 | — | — | |
| SCHEMBL1550005 | 0.66 | — | — | |
| SCHEMBL27414400 | 0.62 | — | — | |
| SCHEMBL7522715 | 0.58 | — | — | |
| SCHEMBL9296983 | 0.58 | — | — | |
| SCHEMBL30360541 | 0.58 | — | — | |
| SCHEMBL23908689 | 0.57 | — | — | |
| SCHEMBL27514345 | 0.57 | — | — | |
| SCHEMBL2567856 | 0.55 | TSHR (0.30) | — |
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-1402288-A1 | POLYMERIC MATERIALS FOR MAKING CONTACT LENSES | Novartis AG (CH) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002097481-A1 | POLYMERIC MATERIALS FOR MAKING CONTACT LENSES | NOVARTIS AG (CH) | 2002-12-05 | — | — | WO | disclosed |