⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3430289 | 0.71 | — | — | |
| SCHEMBL11031209 | 0.71 | CYP2C19 (0.40) | — | |
| SCHEMBL3139453 | 0.69 | — | — | |
| SCHEMBL28834743 | 0.69 | — | — | |
| SCHEMBL10944661 | 0.67 | — | — | |
| SCHEMBL2063632 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL13081005 | 0.67 | — | — | |
| SCHEMBL8434615 | 0.65 | — | — | |
| SCHEMBL30845 | 0.63 | — | — | |
| Methane SCHEMBL11433856 | 0.60 | — | — |
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-110494438-A | The method for preparing methyl-phosphinic acid butyl ester | ADAMA AGAN LTD | 2019-11-22 | — | — | CN | disclosed |