⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL10862849 | 0.93 | — | — | |
| Toluene SCHEMBL7662176 | 0.89 | — | — | |
| Toluene SCHEMBL1 | 0.89 | — | — | |
| Toluene SCHEMBL11213676 | 0.89 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.89 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.89 | ACHE (1.00) | — | |
| SCHEMBL12344943 | 0.89 | ACHE (1.00) | — | |
| Toluene SCHEMBL5665166 | 0.89 | ACHE (1.00) | — | |
| Toluene SCHEMBL10976206 | 0.89 | ACHE (1.00) | — | |
| Toluene SCHEMBL8433895 | 0.89 | ACHE (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110903316-B | Phosphonate compound and preparation method and application thereof | 中南大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-110903316-A | Phosphonate compound and preparation method and application thereof | 中南大学 | 2020-03-24 | — | — | CN | disclosed |
| CN-1057099-C | Synthetic peptides, intermediates therefor and process for producing the same | MITSUBISHI TOYKO PHARMACEUTICA (JP) | 2000-10-04 | — | — | CN | disclosed |
| CN-1136813-A | Novel synthetic peptide, lung surfactant containing the same and remedy for respiratory distress syndrome | TOKYO TANABE PHARMACEUTICAL CO (JP) | 1996-11-27 | — | — | CN | disclosed |