⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL434956 | 0.68 | — | — | |
| SCHEMBL259591 | 0.67 | — | — | |
| SCHEMBL31462395 | 0.63 | — | — | |
| SCHEMBL851701 | 0.62 | — | — | |
| SCHEMBL5255304 | 0.62 | — | — | |
| SCHEMBL8335212 | 0.62 | — | — | |
| SCHEMBL1059686 | 0.62 | — | — | |
| SCHEMBL14010698 | 0.61 | — | — | |
| SCHEMBL1576988 | 0.60 | — | — | |
| SCHEMBL5180754 | 0.60 | — | — |
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-2596041-A1 | POLYURETHANE HAVING HIGH LIGHT REFRACTION | Bayer Intellectual Property GmbH (DE) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010526-A1 | POLYURETHANE HAVING HIGH LIGHT REFRACTION | BAYER MATERIALSCIENCE AG (DE) | 2012-01-26 | — | — | WO | disclosed |