⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10170999 | 0.91 | — | — | |
| SCHEMBL86332 | 0.86 | PDK1 (0.33) | — | |
| SCHEMBL86335 | 0.85 | PDK1 (0.31) | — | |
| SCHEMBL27398054 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL10212705 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL12994532 | 0.76 | PDK1 (0.38) | — | |
| SCHEMBL2682078 | 0.76 | PDK1 (0.35) | — | |
| SCHEMBL12026733 | 0.76 | PDK1 (0.35) | — | |
| SCHEMBL10171001 | 0.75 | FKBP1A (0.31) | — | |
| SCHEMBL9241612 | 0.74 | FKBP1A (0.33) | — |
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-20120077126-A1 | Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method | CENTRAL GLASS COMPANY, LIMITED (JP) | 2012-03-29 | — | — | US | disclosed |