⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21827271 | 0.71 | — | — | |
| SCHEMBL21827651 | 0.71 | — | — | |
| SCHEMBL2539856 | 0.71 | — | — | |
| SCHEMBL26699712 | 0.67 | — | — | |
| SCHEMBL1459857 | 0.67 | — | — | |
| SCHEMBL22089473 | 0.62 | — | — | |
| SCHEMBL1564219 | 0.61 | — | — | |
| SCHEMBL9216715 | 0.59 | — | — | |
| SCHEMBL26699717 | 0.58 | — | — | |
| SCHEMBL478050 | 0.57 | — | — |
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-115989029-A | Novel compound, alpha synuclein aggregate binding agent, and use thereof | 国立研究开发法人量子科学技术研究开发机构 | 2023-04-18 | — | — | CN | disclosed |