⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12857024 | 0.69 | — | — | |
| SCHEMBL18622106 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL10405773 | 0.66 | — | — | |
| SCHEMBL14189048 | 0.65 | — | — | |
| SCHEMBL2994627 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL18638684 | 0.65 | — | — | |
| SCHEMBL28802071 | 0.64 | PTGS1 (0.36) | — | |
| SCHEMBL24924578 | 0.63 | KDM4E (0.34) | — | |
| SCHEMBL24923696 | 0.63 | KDM4E (0.34) | — | |
| SCHEMBL3000170 | 0.62 | CYP1A2 (0.35) | — |
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-7378154-B2 | Radiation transparent glass, polycarbonate, polyethylene terephthalate, acrylic, methyl cellulose or polycycloolefin substrate, a fluoropolymer layer containing and a rare earth metal compound, and a low refractive index layer; fluorescence; light amplification; improved efficiency; light emitting diodes | DAIKIN INDUSTRIES, LTD. (JP) | 2008-05-27 | — | — | US | disclosed |