⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25561300 | 0.82 | DPP8 (0.31) | — | |
| SCHEMBL22306046 | 0.76 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL19158004 | 0.74 | — | — | |
| SCHEMBL24177268 | 0.74 | GLB1 (0.38) | — | |
| SCHEMBL3818437 | 0.74 | — | — | |
| SCHEMBL10264482 | 0.73 | — | — | |
| SCHEMBL26049280 | 0.72 | — | — | |
| SCHEMBL22098481 | 0.72 | — | — | |
| SCHEMBL17121421 | 0.70 | — | — | |
| SCHEMBL24668916 | 0.69 | PDK1 (0.34) | — |
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-3141582-A1 | SYNTHESIS AND USE OF POLYALKYLAMINES | Incella GmbH (DE) | 2017-03-15 | — | — | EP | disclosed |