⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27774642 | 0.79 | — | — | |
| SCHEMBL27795580 | 0.79 | — | — | |
| SCHEMBL16994957 | 0.78 | — | — | |
| SCHEMBL12499796 | 0.78 | — | — | |
| SCHEMBL7030509 | 0.77 | — | — | |
| SCHEMBL16994905 | 0.75 | CAMK2A (0.39) | — | |
| SCHEMBL2153461 | 0.74 | — | — | |
| SCHEMBL21209155 | 0.74 | — | — | |
| SCHEMBL2191 | 0.73 | — | — | |
| SCHEMBL21114361 | 0.73 | GABRR1 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101654415-B | Method for selective catalyzed preparation of hydroxyl acetamide by diphosphonic acid | JIANGSU INST NUCLEAR MEDICINE | 2012-08-08 | — | — | CN | disclosed |
| CN-101654415-A | Method for selective catalyzed preparation of hydroxyl acetamide by diphosphonic acid | JIANGSU INST OF NUCLEAR MED | 2010-02-24 | — | — | CN | disclosed |