⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28251853 | 0.87 | — | — | |
| Cyanate SCHEMBL10596478 | 0.78 | ESR1 (0.32) | — | |
| SCHEMBL9848778 | 0.77 | — | — | |
| SCHEMBL7768426 | 0.77 | — | — | |
| SCHEMBL28262447 | 0.73 | ALDH1A1 (0.32) | — | |
| Cyanate SCHEMBL28098409 | 0.70 | — | — | |
| SCHEMBL19260134 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL9236444 | 0.69 | — | — | |
| SCHEMBL10458064 | 0.68 | — | — | |
| SCHEMBL14388673 | 0.67 | — | — |
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-107022105-A | The whips of radiation-hardenable | 科思创德国股份有限公司 | 2017-08-08 | — | — | CN | disclosed |