⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1603169 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL27841861 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL1603208 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL27946853 | 0.76 | CA9 (0.34) | — | |
| SCHEMBL1249501 | 0.76 | KDM4E (0.41) | — | |
| Water SCHEMBL28878288 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL6626531 | 0.73 | — | — | |
| SCHEMBL27790160 | 0.73 | ELANE (0.34) | — | |
| SCHEMBL29164973 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL27748316 | 0.72 | KDM4E (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109705069-B | Preparation method of 2, 5-furandicarboxylic acid | 厦门大学 | 2020-10-09 | — | — | CN | claimed |
| CN-104829564-B | 5-formyloxy methylfurfural preparation method | 厦门大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-104829564-B | 5-formyloxy methylfurfural preparation method | 厦门大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-104829564-A | 5-formyloxy methylfurfural preparation method | UNIV XIAMEN | 2015-08-12 | — | — | CN | disclosed |
| CN-104829564-A | 5-formyloxy methylfurfural preparation method | UNIV XIAMEN | 2015-08-12 | — | — | CN | disclosed |