⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24664338 | 0.98 | — | — | |
| SCHEMBL23182233 | 0.92 | — | — | |
| SCHEMBL22246893 | 0.86 | PDK2 (0.32) | — | |
| SCHEMBL23096163 | 0.84 | — | — | |
| SCHEMBL12161338 | 0.83 | — | — | |
| SCHEMBL19942925 | 0.83 | — | — | |
| SCHEMBL21527134 | 0.83 | PDK2 (0.34) | — | |
| SCHEMBL21527223 | 0.83 | PDK2 (0.34) | — | |
| SCHEMBL9916273 | 0.83 | PDK2 (0.34) | — | |
| SCHEMBL15927223 | 0.83 | PDK2 (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-3341981-B1 | FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL COMPRISING AN EPOXY GROUP CONTAINING SOLVENT | MERCK PATENT GMBH (DE) | 2020-08-19 | — | — | EP | disclosed |