⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20462788 | 0.90 | MEN1 (0.30) | — | |
| SCHEMBL20462791 | 0.87 | — | — | |
| SCHEMBL12603980 | 0.85 | — | — | |
| SCHEMBL13007309 | 0.83 | — | — | |
| SCHEMBL1002360 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL15977948 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL19702948 | 0.79 | — | — | |
| SCHEMBL20462790 | 0.78 | — | — | |
| SCHEMBL15033459 | 0.78 | — | — | |
| SCHEMBL13007306 | 0.77 | — | — |
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-1927882-B1 | Contact lens | NOVARTIS AG (CH) | 2015-09-23 | — | — | EP | disclosed |
| US-7201481-B2 | Interpolymerization product of a (a) hydrophilic monomer with (b) a tris(siloxy)silyl group- containing monomer, (c) a wide variety of hydrophobic monomers (both aliphatic and aromatic) and usually a (d) polyfluorinated monomer | NOVARTIS AG (CH) | 2007-04-10 | — | — | US | disclosed |