⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16066140 | 0.86 | HPGD (0.35) | — | |
| SCHEMBL17033494 | 0.86 | PDE4A (0.33) | — | |
| SCHEMBL16066771 | 0.85 | HPGD (0.33) | — | |
| SCHEMBL17033764 | 0.85 | DUSP3 (0.30) | — | |
| SCHEMBL16066485 | 0.84 | HPGD (0.34) | — | |
| SCHEMBL17033678 | 0.84 | GAA (0.36) | — | |
| SCHEMBL17033706 | 0.83 | — | — | |
| SCHEMBL17033684 | 0.83 | POLB (0.32) | — | |
| SCHEMBL25775183 | 0.83 | L3MBTL1 (0.38) | — | |
| SCHEMBL16066593 | 0.82 | HPGD (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-2015125986-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-08-27 | — | — | WO | disclosed |