⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1997325 | 0.67 | — | — | |
| SCHEMBL8209871 | 0.54 | — | — | |
| SCHEMBL7932155 | 0.50 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.43 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.41 | — | — | |
| SCHEMBL5849008 | 0.41 | ALDH1A1 (0.46) | — | |
| SCHEMBL348913 | 0.41 | AHR (0.67) | — | |
| SCHEMBL7079561 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.39 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.39 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786798-B1 | ONE POT SYNTHESIS OF TAXANE DERIVATIVES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL | CHATHAM BIOTEC LTD (CA) | 2008-06-11 | — | — | EP | claimed |