⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23287881 | 0.79 | ODC1 (0.40) | — | |
| SCHEMBL23287880 | 0.78 | DRD2 (0.36) | — | |
| SCHEMBL23287846 | 0.74 | TYMS (0.36) | — | |
| SCHEMBL23287876 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL23287896 | 0.70 | MAOA (0.34) | — | |
| SCHEMBL23287838 | 0.68 | ODC1 (0.34) | — | |
| SCHEMBL24266584 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL24266309 | 0.66 | KDM4E (0.34) | — | |
| SCHEMBL23287886 | 0.66 | HSD17B10 (0.41) | — | |
| SCHEMBL19824393 | 0.63 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021078831-A1 | COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE | MERCK PATENT GMBH (DE) | 2021-04-29 | — | — | WO | disclosed |