⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2496381 | 0.85 | — | — | |
| SCHEMBL16037518 | 0.81 | — | — | |
| SCHEMBL234416 | 0.81 | — | — | |
| SCHEMBL16037043 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL16036351 | 0.79 | — | — | |
| SCHEMBL3624780 | 0.79 | SPHK2 (0.33) | — | |
| SCHEMBL1276923 | 0.79 | SPHK2 (0.31) | — | |
| SCHEMBL16036155 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL7063965 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL23142355 | 0.76 | OPRM1 (0.31) | — |
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-1086961-A1 | Process for the preparation of a catalyst component for the polymerisation of an olefin | DSM N.V. (NL) | 2001-03-28 | — | — | EP | disclosed |