⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8294316 | 1.00 | — | — | |
| SCHEMBL10487588 | 0.98 | — | — | |
| SCHEMBL4447432 | 0.97 | — | — | |
| SCHEMBL11122626 | 0.97 | — | — | |
| SCHEMBL10676403 | 0.81 | — | — | |
| SCHEMBL29618223 | 0.80 | DPP4 (0.62) | — | |
| SCHEMBL11374701 | 0.79 | — | — | |
| SCHEMBL15045198 | 0.79 | L3MBTL1 (0.44) | — | |
| SCHEMBL683233 | 0.78 | — | — | |
| SCHEMBL10923490 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0057998-B1 | ALICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1984-08-08 | — | — | EP | disclosed |
| EP-0057998-A1 | Alicyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-08-18 | — | — | EP | disclosed |