⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17366341 | 0.76 | — | — | |
| SCHEMBL14905639 | 0.74 | EPHX2 (0.30) | — | |
| SCHEMBL2369691 | 0.69 | — | — | |
| SCHEMBL2369685 | 0.69 | — | — | |
| SCHEMBL12571497 | 0.69 | — | — | |
| SCHEMBL25417205 | 0.69 | MMP2 (0.37) | — | |
| SCHEMBL13893053 | 0.65 | — | — | |
| SCHEMBL2567705 | 0.65 | — | — | |
| SCHEMBL6817138 | 0.65 | — | — | |
| SCHEMBL21406336 | 0.65 | — | — |
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-20110219679-A1 | MICROWAVE TORREFACTION OF BIOMASS | UNIVERSITY OF YORK (GB) | 2011-09-15 | — | — | US | disclosed |