⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16905091 | 0.88 | PTPN1 (0.33) | — | |
| SCHEMBL107004 | 0.87 | MMP8 (0.33) | — | |
| SCHEMBL16905085 | 0.86 | — | — | |
| SCHEMBL799831 | 0.83 | CTRB1 (0.33) | — | |
| SCHEMBL9608703 | 0.82 | GABRA1 (0.33) | — | |
| SCHEMBL10062501 | 0.81 | DGAT1 (0.32) | — | |
| SCHEMBL799791 | 0.81 | CYP4F2 (0.36) | — | |
| SCHEMBL9881080 | 0.81 | — | — | |
| SCHEMBL12038368 | 0.80 | — | — | |
| SCHEMBL10170997 | 0.79 | — | — |
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 |