⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9981730 | 0.96 | — | — | |
| SCHEMBL9981750 | 0.93 | — | — | |
| SCHEMBL9981889 | 0.91 | GABRA1 (0.31) | — | |
| SCHEMBL9982446 | 0.90 | — | — | |
| SCHEMBL9982907 | 0.89 | — | — | |
| SCHEMBL9981590 | 0.87 | — | — | |
| SCHEMBL9981432 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL9981911 | 0.86 | — | — | |
| SCHEMBL1738331 | 0.85 | — | — | |
| SCHEMBL9981793 | 0.85 | — | — |
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-8211514-B2 | Reverse dispersion retardation film and liquid crystal display device using the same | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2012-07-03 | — | — | US | disclosed |