⚠ 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 SCHEMBL9073250 | 0.79 | — | — | |
| Fosfocreatine SCHEMBL9319921 | 0.78 | MVD (0.41) | — | |
| Fosfocreatine SCHEMBL65424 | 0.78 | MVD (0.41) | — | |
| Fosfocreatine SCHEMBL612833 | 0.77 | MVD (0.40) | — | |
| Fosfocreatine SCHEMBL1640491 | 0.77 | MVD (0.40) | — | |
| Fosfocreatine SCHEMBL3026725 | 0.77 | MVD (0.40) | — | |
| Fosfocreatine SCHEMBL21381775 | 0.77 | MVD (0.40) | — | |
| Fosfocreatine SCHEMBL2635000 | 0.77 | MVD (0.40) | — | |
| Fosfocreatine SCHEMBL9074836 | 0.76 | ITGB3 (0.30) | — | |
| Fosfocreatine SCHEMBL23828690 | 0.75 | MVD (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0426100-A1 | Stabilized enzyme compositions | ABBOTT LABORATORIES (US) | 1991-05-08 | — | — | EP | disclosed |