⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL768193 | 1.00 | — | — | |
| SCHEMBL4547753 | 1.00 | — | — | |
| SCHEMBL42200 | 1.00 | — | — | |
| SCHEMBL13838896 | 1.00 | — | — | |
| SCHEMBL13232694 | 1.00 | — | — | |
| SCHEMBL13448867 | 1.00 | — | — | |
| SCHEMBL41514 | 0.93 | — | — | |
| SCHEMBL12799182 | 0.91 | — | — | |
| SCHEMBL7794435 | 0.89 | — | — | |
| SCHEMBL2201629 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173720-B2 | Transparent gel and contact lense from the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2012-05-08 | — | — | US | disclosed |