⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2216882 | 0.88 | — | — | |
| SCHEMBL2214108 | 0.86 | — | — | |
| SCHEMBL11557009 | 0.83 | — | — | |
| SCHEMBL2215140 | 0.82 | TP53 (0.42) | — | |
| SCHEMBL21410082 | 0.75 | — | — | |
| SCHEMBL2216506 | 0.70 | — | — | |
| SCHEMBL9246035 | 0.69 | — | — | |
| SCHEMBL2216559 | 0.69 | — | — | |
| SCHEMBL43809 | 0.67 | — | — | |
| SCHEMBL9117801 | 0.67 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190233556-A1 | HIGH REFRACTIVE INDEX POLYMERIZABLE MONOMERS AND APPLICATIONS THEREOF | CORNING INCORPORATED (US) | 2019-08-01 | — | — | US | disclosed |
| WO-2018075848-A1 | HIGH REFRACTIVE INDEX POLYMERIZABLE MONOMERS AND APPLICATIONS THEREOF | CORNING INCORPORATED (US) | 2018-04-26 | — | — | WO | disclosed |