⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3621130 | 0.86 | ADH1B (0.39) | — | |
| SCHEMBL12360635 | 0.80 | — | — | |
| SCHEMBL23397922 | 0.79 | ADH1B (0.31) | — | |
| SCHEMBL23397926 | 0.79 | ADH1B (0.31) | — | |
| SCHEMBL24324051 | 0.76 | — | — | |
| SCHEMBL24331076 | 0.72 | ADH1B (0.33) | — | |
| SCHEMBL1919467 | 0.72 | — | — | |
| SCHEMBL24299066 | 0.72 | — | — | |
| SCHEMBL3029184 | 0.70 | — | — | |
| SCHEMBL1858350 | 0.70 | — | — |
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-3489236-A1 | PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES | Takeda Pharmaceutical Company Limited (JP) | 2019-05-29 | — | — | EP | disclosed |