⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7845947 | 0.80 | — | — | |
| SCHEMBL1047330 | 0.72 | — | — | |
| SCHEMBL864151 | 0.71 | TAAR1 (0.34) | — | |
| SCHEMBL27584569 | 0.70 | — | — | |
| SCHEMBL15256477 | 0.70 | DHFR (0.38) | — | |
| SCHEMBL4226078 | 0.70 | IDO1 (0.37) | — | |
| SCHEMBL27668614 | 0.69 | — | — | |
| SCHEMBL720756 | 0.68 | TRPA1 (0.44) | — | |
| SCHEMBL864779 | 0.67 | — | — | |
| SCHEMBL28116265 | 0.67 | EGFR (0.39) | — |
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 |