⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3385880 | 0.81 | — | — | |
| SCHEMBL163620 | 0.78 | — | — | |
| SCHEMBL160899 | 0.76 | — | — | |
| SCHEMBL6234778 | 0.73 | NR4A2 (0.43) | — | |
| SCHEMBL7504790 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL13949448 | 0.71 | FABP3 (0.35) | — | |
| SCHEMBL6855408 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL9510208 | 0.71 | KMT2A (0.31) | — | |
| SCHEMBL14139951 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL9374840 | 0.71 | PARP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101619051-A | Preparation method of hydroxymethylfurfural | USTC UNIV SCIENCE TECH CN | 2010-01-06 | — | — | CN | claimed |
| CN-101619051-B | Preparation method of hydroxymethylfurfural | USTC UNIV SCIENCE TECH CN | 2013-08-28 | — | — | CN | disclosed |
| CN-101619051-A | Preparation method of hydroxymethylfurfural | USTC UNIV SCIENCE TECH CN | 2010-01-06 | — | — | CN | disclosed |