⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9939394 | 1.00 | — | — | |
| SCHEMBL15099773 | 0.80 | — | — | |
| SCHEMBL15099820 | 0.72 | — | — | |
| SCHEMBL9939453 | 0.71 | — | — | |
| SCHEMBL22721993 | 0.70 | — | — | |
| SCHEMBL14184047 | 0.70 | — | — | |
| SCHEMBL25697277 | 0.70 | — | — | |
| SCHEMBL19300201 | 0.68 | — | — | |
| SCHEMBL27870948 | 0.68 | — | — | |
| SCHEMBL25111552 | 0.67 | — | — |
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-1882689-B1 | TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES | DAIICHI SANKYO CO LTD (JP) | 2013-07-10 | — | — | EP | disclosed |