⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29525394 | 0.73 | — | — | |
| SCHEMBL5949334 | 0.73 | — | — | |
| SCHEMBL31683765 | 0.73 | — | — | |
| SCHEMBL12465337 | 0.70 | — | — | |
| SCHEMBL27684785 | 0.67 | — | — | |
| SCHEMBL22569883 | 0.65 | — | — | |
| SCHEMBL11420917 | 0.65 | — | — | |
| SCHEMBL548623 | 0.62 | — | — | |
| SCHEMBL9284869 | 0.62 | — | — | |
| SCHEMBL22893335 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2796454-A1 | METHOD FOR PRODUCING 5- HYDROXYMETHYL-2- FURFURAL OR ALKYL ETHER DERIVATIVES THEREOF USING AN ION EXCHANGE RESIN IN THE PRESENCE OF AN ORGANIC SOLVENT | Korea Institute of Industrial Technology (KR) | 2014-10-29 | — | — | EP | disclosed |