⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7613712 | 0.83 | CHEK1 (0.37) | — | |
| SCHEMBL4053225 | 0.82 | — | — | |
| SCHEMBL14560346 | 0.79 | SRC (0.43) | — | |
| SCHEMBL7482610 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL9225445 | 0.75 | GPR84 (0.33) | — | |
| SCHEMBL9658362 | 0.75 | — | — | |
| SCHEMBL7570530 | 0.74 | CYP1A2 (0.46) | — | |
| SCHEMBL6139412 | 0.71 | ADRA1A (0.32) | — | |
| SCHEMBL28827642 | 0.70 | — | — | |
| SCHEMBL1491971 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110086395-A1 | NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION | SHELL OIL COMPANY | 2011-04-14 | — | — | US | disclosed |
| EP-2308959-A1 | Novel microorganism and its use in lignocellulose detoxifixcation | Shell Internationale Research Maatschappij B.V. (NL) | 2011-04-13 | — | — | EP | disclosed |
| WO-2011026906-A2 | NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2011-03-10 | — | — | WO | disclosed |