⚠ 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 | |
|---|---|---|---|---|
| Fosfocreatine SCHEMBL612834 | 0.96 | — | — | |
| Fosfocreatine SCHEMBL3026727 | 0.96 | — | — | |
| Fosfocreatine SCHEMBL30173229 | 0.84 | — | — | |
| Fosfocreatine SCHEMBL30031412 | 0.82 | MVD (0.38) | — | |
| Fosfocreatine SCHEMBL1640494 | 0.82 | MVD (0.38) | — | |
| Fosfocreatine SCHEMBL31181876 | 0.81 | MVD (0.37) | — | |
| Fosfocreatine SCHEMBL30930087 | 0.81 | MVD (0.37) | — | |
| Creatine SCHEMBL1065566 | 0.70 | NOS3 (0.39) | — | |
| Creatine SCHEMBL9568829 | 0.70 | NOS3 (0.39) | — | |
| Creatine SCHEMBL939498 | 0.69 | CA1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5302520-A | Enzymatic synthesis of isotopically labeled carbohydrates | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1994-04-12 | — | — | US | disclosed |
| US-5227296-A | ENZYMATIC SYNTHESIS OF ISOTOPICALLY LABELED CARBOHYDRATES, NUCLEOTIDES AND CITRIC ACID INTERMEDIATES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-07-13 | — | — | US | disclosed |
| WO-1992005270-A2 | ENZYMATIC SYNTHESIS OF ISOTOPICALLY LABELED CARBOHYDRATES, NUCLEOTIDES AND CITRIC ACID INTERMEDIATES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-04-02 | — | — | WO | disclosed |