⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14471112 | 0.92 | — | — | |
| SCHEMBL31041049 | 0.90 | OPRM1 (0.44) | — | |
| SCHEMBL22152174 | 0.90 | OPRM1 (0.44) | — | |
| SCHEMBL9786101 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL6949645 | 0.82 | — | — | |
| SCHEMBL6949650 | 0.82 | — | — | |
| SCHEMBL21336455 | 0.78 | LMNA (0.46) | — | |
| SCHEMBL4271959 | 0.77 | DNM1 (0.41) | — | |
| SCHEMBL8167587 | 0.76 | — | — | |
| SCHEMBL20605268 | 0.76 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1072932-A | The production of amino-alkane phosphonic acid and salt thereof and/or ester | RHONE POUIENC AGROCHIMIE (FR) | 1993-06-09 | — | — | CN | disclosed |