⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL27937252 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL2127280 | 0.74 | — | — | |
| SCHEMBL10899182 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL28035544 | 0.72 | CA12 (0.36) | — | |
| SCHEMBL12500195 | 0.72 | — | — | |
| Propionitrile SCHEMBL30659047 | 0.71 | — | — | |
| SCHEMBL27917970 | 0.68 | — | — | |
| SCHEMBL22779764 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL17023852 | 0.67 | ALDH1A1 (0.60) | — | |
| SCHEMBL177824 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210094980-A1 | PRODUCTION METHOD AND PRODUCTION INTERMEDIATE FOR GUANOSINE-3',5'-BISDIPHOSPHATE | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2021-04-01 | — | — | US | disclosed |
| EP-3750906-A1 | PRODUCTION METHOD AND PRODUCTION INTERMEDIATE FOR GUANOSINE-3',5'-BISDIPHOSPHATE | Tokyo Institute of Technology (JP) | 2020-12-16 | — | — | EP | disclosed |