⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15088992 | 0.88 | PDE6D (0.36) | — | |
| SCHEMBL15089222 | 0.88 | PDE6D (0.31) | — | |
| SCHEMBL15088983 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL15088991 | 0.85 | PGR (0.33) | — | |
| SCHEMBL15088900 | 0.83 | PDE6D (0.34) | — | |
| SCHEMBL15088984 | 0.81 | PDE6D (0.33) | — | |
| SCHEMBL15089004 | 0.80 | KDM4E (0.45) | — | |
| SCHEMBL15089003 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL15088981 | 0.79 | PDE6D (0.35) | — | |
| SCHEMBL15088982 | 0.79 | PDK2 (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-2013100497-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | 주식회사 두산 (KR) | 2013-07-04 | — | — | WO | disclosed |