⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2337264 | 0.85 | — | — | |
| SCHEMBL385983 | 0.75 | — | — | |
| SCHEMBL5966260 | 0.73 | — | — | |
| SCHEMBL27363208 | 0.71 | — | — | |
| SCHEMBL2540271 | 0.70 | — | — | |
| SCHEMBL1785347 | 0.67 | — | — | |
| SCHEMBL1783590 | 0.67 | — | — | |
| SCHEMBL4613099 | 0.67 | POLB (0.32) | — | |
| SCHEMBL4613089 | 0.67 | POLB (0.32) | — | |
| SCHEMBL1928265 | 0.65 | — | — |
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-103788097-B | Fused ring compound and its purposes | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2016-03-30 | — | — | CN | disclosed |