⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9003723 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL12447825 | 0.68 | — | — | |
| SCHEMBL31158574 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL34460862 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL10951028 | 0.64 | NOS3 (0.34) | — | |
| SCHEMBL762030 | 0.62 | — | — | |
| SCHEMBL10143149 | 0.61 | — | — | |
| SCHEMBL2669338 | 0.61 | — | — | |
| SCHEMBL6591487 | 0.61 | — | — | |
| SCHEMBL11197627 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005000309-A2 | CHEMICAL COMPOUNDS | IONIX PHARMACEUTICALS LIMITED (GB) | 2005-01-06 | — | — | WO | disclosed |