⚠ 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 SCHEMBL9395791 | 0.91 | — | — | |
| Fosfocreatine SCHEMBL9074840 | 0.89 | — | — | |
| Fosfocreatine SCHEMBL9073250 | 0.80 | — | — | |
| SCHEMBL1984828 | 0.79 | CYP2D6 (0.36) | — | |
| Water SCHEMBL9389447 | 0.76 | CYP2D6 (0.34) | — | |
| Fosfocreatine SCHEMBL24116748 | 0.76 | MVD (0.44) | — | |
| Fosfocreatine SCHEMBL2124030 | 0.76 | MVD (0.44) | — | |
| Fosfocreatine SCHEMBL65425 | 0.76 | MVD (0.44) | — | |
| Fosfocreatine SCHEMBL2635002 | 0.75 | MVD (0.42) | — | |
| Fosfocreatine SCHEMBL5248692 | 0.72 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426100-B1 | Stabilized enzyme compositions | ABBOTT LAB (US) | 1994-12-14 | — | — | EP | claimed |
| JP-3172198-A | — | — | None | — | — | JP | disclosed |
| US-5496716-A | FOR USE AS CALIBRATOR OR CONTROL REFERENCE IN IMMUNOASSAY; CONTAINS ONE ENZYME SUBSTRATE OR ANALOG AND ENZYME PRODUCT OR ANALOG COMBINED WITH ENZYME | ABBOTT LABORATORIES (US) | 1996-03-05 | — | — | US | disclosed |
| JP-H03172198-A | STABILIZED ENZYME COMPOSITION AND KIT FOR ENZYME ASSAY USING THE SAME | ABBOTT LAB | 1991-07-25 | — | — | JP | disclosed |