⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5678782 | 0.87 | — | — | |
| SCHEMBL5210259 | 0.87 | — | — | |
| SCHEMBL186018 | 0.82 | — | — | |
| SCHEMBL5206816 | 0.81 | — | — | |
| SCHEMBL5505753 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL9744478 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL10699211 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL24532 | 0.79 | — | — | |
| SCHEMBL82509 | 0.79 | — | — | |
| SCHEMBL1060308 | 0.79 | — | — |
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-105985774-A | Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material | 纳晶科技股份有限公司 | 2016-10-05 | — | — | CN | claimed |
| CN-105985774-B | The application of nanocrystalline-ligand complex, preparation method, printing material and printing material | 纳晶科技股份有限公司 | 2019-05-28 | — | — | CN | disclosed |
| EP-3092288-A1 | METHOD FOR REMOVING SULFUR COMPOUNDS FROM HYDROCARBON STREAMS | BASF SE (DE) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015104304-A1 | METHOD FOR REMOVING SULFUR COMPOUNDS FROM HYDROCARBON STREAMS | BASF SE (DE) | 2015-07-16 | — | — | WO | disclosed |