⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19918449 | 0.96 | PRKDC (0.31) | — | |
| SCHEMBL19918609 | 0.92 | PLA2G2A (0.33) | — | |
| SCHEMBL19918477 | 0.92 | PIM3 (0.32) | — | |
| SCHEMBL19918598 | 0.92 | PLA2G2A (0.33) | — | |
| SCHEMBL19918446 | 0.92 | — | — | |
| SCHEMBL19918605 | 0.92 | — | — | |
| SCHEMBL19918601 | 0.91 | PLA2G2A (0.34) | — | |
| SCHEMBL19918606 | 0.89 | PLA2G2A (0.32) | — | |
| SCHEMBL19918673 | 0.88 | CHEK2 (0.30) | — | |
| SCHEMBL16605746 | 0.87 | CYP1A2 (0.36) | — |
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-2018038400-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME | 주식회사 두산 | 2018-03-01 | — | — | WO | disclosed |