⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10468266 | 0.78 | — | — | |
| SCHEMBL570244 | 0.73 | — | — | |
| SCHEMBL10467385 | 0.69 | — | — | |
| SCHEMBL9286289 | 0.68 | HCAR2 (0.33) | — | |
| SCHEMBL5551815 | 0.65 | NISCH (0.37) | — | |
| SCHEMBL8531906 | 0.58 | — | — | |
| SCHEMBL9186966 | 0.53 | — | — | |
| SCHEMBL23348984 | 0.51 | CLK1 (0.37) | — | |
| SCHEMBL31262817 | 0.51 | HSD17B10 (0.39) | — | |
| SCHEMBL31540633 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3060633-A1 | LIQUID FUEL COMPOSITIONS | Shell Internationale Research Maatschappij B.V. (NL) | 2016-08-31 | — | — | EP | claimed |
| WO-2015059210-A1 | LIQUID FUEL COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2015-04-30 | — | — | WO | claimed |