⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27513788 | 0.81 | — | — | |
| SCHEMBL2259016 | 0.75 | MMP1 (0.34) | — | |
| SCHEMBL2510065 | 0.73 | PGK1 (0.35) | — | |
| SCHEMBL769620 | 0.73 | PGK1 (0.35) | — | |
| SCHEMBL27580549 | 0.73 | MMP1 (0.47) | — | |
| SCHEMBL9421171 | 0.70 | PEPD (0.30) | — | |
| SCHEMBL19585062 | 0.68 | CA12 (0.37) | — | |
| SCHEMBL6412604 | 0.67 | — | — | |
| Phosphoric Acid SCHEMBL1831511 | 0.65 | MMP1 (0.38) | — | |
| Phosphoric Acid SCHEMBL1830646 | 0.65 | MMP8 (0.38) | — |
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-0303555-B1 | Preparation of a metallic chelate of ethanol aminophosphoric acid and medicament | KOEHLER CHEMIE DR FRANZ (DE) | 1994-06-15 | — | — | EP | claimed |
| US-5068228-A | Nervous system disorders | KOEHLER GERNOT (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0303555-A2 | Preparation of a metallic chelate of ethanol aminophosphoric acid and medicament | Dr. Franz Köhler Chemie GmbH (DE) | 1989-02-15 | — | — | EP | disclosed |
| EP-0303555-A2 | Preparation of a metallic chelate of ethanol aminophosphoric acid and medicament | Dr. Franz Köhler Chemie GmbH (DE) | 1989-02-15 | — | — | EP | disclosed |