⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL527183 | 0.80 | HSD17B3 (0.32) | — | |
| SCHEMBL2304698 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL28044210 | 0.78 | ELANE (0.39) | — | |
| SCHEMBL527563 | 0.77 | — | — | |
| SCHEMBL2497913 | 0.77 | SRC (0.33) | — | |
| Water SCHEMBL4228027 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL28054237 | 0.76 | ALDH1A3 (0.31) | — | |
| SCHEMBL574954 | 0.75 | — | — | |
| SCHEMBL132741 | 0.75 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL2637003 | 0.74 | ALDH1A1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104628682-B | A kind of method for being catalyzed 5 hydroxymethylfurfurals and preparing alkoxymethylfurfural | 大连大学 | 2017-11-10 | — | — | CN | disclosed |
| CN-104628683-B | A kind of method that catalysis Fructose prepares 5 Hydroxymethylfurfural and 5 t-butoxymethyl furfurals | 大连大学 | 2017-03-08 | — | — | CN | disclosed |
| CN-104628683-A | Method for preparing 5-hydroxymethylfurfural and 5-tert-butoxymethylfurfural by catalyzing fructose | UNIV DALIAN | 2015-05-20 | — | — | CN | disclosed |
| CN-104628682-A | Method for preparing alkoxymethyl furfural by catalyzing 5-hydroxymethylfurfural | UNIV DALIAN | 2015-05-20 | — | — | CN | disclosed |