⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21671134 | 0.77 | TNKS2 (0.40) | — | |
| SCHEMBL25117604 | 0.73 | DRD2 (0.41) | — | |
| SCHEMBL16688030 | 0.69 | HPGD (0.41) | — | |
| SCHEMBL5876644 | 0.66 | MAPK10 (0.46) | — | |
| SCHEMBL25055370 | 0.64 | CDC42 (0.39) | — | |
| SCHEMBL5876273 | 0.63 | CSF1R (0.36) | — | |
| SCHEMBL4238212 | 0.63 | HPGD (0.51) | — | |
| SCHEMBL24727404 | 0.62 | — | — | |
| SCHEMBL16687977 | 0.62 | JAK2 (0.44) | — | |
| SCHEMBL7048827 | 0.62 | HPGD (0.50) | — |
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-2016105123-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2016-06-30 | — | — | WO | disclosed |