⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240710 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10904960 | 0.72 | — | — | |
| SCHEMBL10425747 | 0.72 | — | — | |
| Phosphoric Acid SCHEMBL7162651 | 0.72 | LAP3 (0.47) | — | |
| SCHEMBL11095218 | 0.72 | — | — | |
| SCHEMBL190532 | 0.72 | — | — | |
| SCHEMBL17626398 | 0.72 | LAP3 (0.47) | — | |
| SCHEMBL16168099 | 0.72 | LAP3 (0.47) | — | |
| SCHEMBL8153785 | 0.72 | — | — | |
| SCHEMBL17626543 | 0.72 | LAP3 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6967193-B1 | Purine inhibitors of fructose-1,6-bisphosphatase | METABASIS THERAPEUTICS, INC. (US) | 2005-11-22 | — | — | US | disclosed |