⚠ 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 | |
|---|---|---|---|---|
| Methyl Phosphonate SCHEMBL7757487 | 0.95 | CA2 (0.42) | — | |
| Methyl Phosphonate SCHEMBL7075062 | 0.84 | CA2 (0.42) | — | |
| Methyl Phosphonate SCHEMBL11394617 | 0.84 | CA2 (0.42) | — | |
| Methyl Phosphonate SCHEMBL11389613 | 0.84 | CA2 (0.42) | — | |
| SCHEMBL191367 | 0.84 | CA2 (0.42) | — | |
| Methyl Phosphonate SCHEMBL4621159 | 0.84 | — | — | |
| Methyl Phosphonate SCHEMBL20597974 | 0.84 | — | — | |
| Methyl Phosphonate SCHEMBL10687038 | 0.84 | — | — | |
| Methyl Phosphonate SCHEMBL7313766 | 0.84 | — | — | |
| Methyl Phosphonate SCHEMBL1820657 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5728360-A | VANADYL PHOSPHITE OXIDATION CATALYST | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5532385-A | VANADIUM-PHOSPHONATE CATALYST | TRUSTEES OF PRINCETON UNIVERSITY (US) | 1996-07-02 | — | — | US | disclosed |