⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5371466 | 0.78 | — | — | |
| SCHEMBL7644341 | 0.76 | — | — | |
| SCHEMBL7640249 | 0.76 | — | — | |
| SCHEMBL27994955 | 0.74 | — | — | |
| SCHEMBL2042957 | 0.73 | PGD (0.34) | — | |
| SCHEMBL28300145 | 0.73 | AKR1B1 (0.37) | — | |
| SCHEMBL5370798 | 0.73 | AKR1B1 (0.37) | — | |
| SCHEMBL9094838 | 0.73 | AKR1B1 (0.37) | — | |
| SCHEMBL28100239 | 0.71 | AKR1B1 (0.31) | — | |
| SCHEMBL28100236 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104404009-A | Short-chain dehydrogenase capable of hydrolyzing ribose and variety of fluorinated ribose | UNIV TIANJIN SCIENCE & TECH | 2015-03-11 | — | — | CN | disclosed |
| CN-104404009-A | Short-chain dehydrogenase capable of hydrolyzing ribose and variety of fluorinated ribose | UNIV TIANJIN SCIENCE & TECH | 2015-03-11 | — | — | CN | disclosed |