⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20483454 | 1.00 | — | — | |
| SCHEMBL20483456 | 1.00 | — | — | |
| SCHEMBL1798487 | 0.96 | — | — | |
| SCHEMBL2096291 | 0.91 | — | — | |
| SCHEMBL17980207 | 0.91 | — | — | |
| SCHEMBL15855789 | 0.84 | — | — | |
| SCHEMBL4995911 | 0.82 | — | — | |
| SCHEMBL4995905 | 0.82 | — | — | |
| SCHEMBL25395957 | 0.81 | HSD17B10 (0.41) | — | |
| SCHEMBL2492666 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2374794-A1 | CYCLIC AMINE COMPOUNDS | Daiichi Sankyo Company, Limited (JP) | 2011-10-12 | — | — | EP | disclosed |