⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28024029 | 0.83 | — | — | |
| SCHEMBL980580 | 0.83 | — | — | |
| SCHEMBL818030 | 0.80 | — | — | |
| SCHEMBL15937693 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7110747 | 0.77 | — | — | |
| SCHEMBL515903 | 0.76 | — | — | |
| SCHEMBL3064066 | 0.76 | — | — | |
| SCHEMBL17289488 | 0.75 | — | — | |
| SCHEMBL22833249 | 0.75 | — | — | |
| SCHEMBL28047669 | 0.74 | — | — |
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-3649166-A1 | PROCESS FOR THE PREPARATION OF FUNCTIONALIZED POLYOXYALKYLENE POLYOLS | Covestro Deutschland AG (DE) | 2020-05-13 | — | — | EP | disclosed |