⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL388219 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28192000 | 0.67 | — | — | |
| SCHEMBL28191998 | 0.60 | — | — | |
| SCHEMBL3795804 | 0.60 | — | — | |
| SCHEMBL12568977 | 0.60 | — | — | |
| SCHEMBL1989469 | 0.60 | — | — | |
| SCHEMBL4447888 | 0.56 | — | — | |
| SCHEMBL213567 | 0.56 | — | — | |
| Methyl Phosphonate SCHEMBL21791 | 0.56 | — | — | |
| SCHEMBL9683062 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120142897-A1 | PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY | UNIVERSITE D'ORLEANS (FR) | 2012-06-07 | — | — | US | disclosed |