⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12283838 | 0.92 | — | — | |
| SCHEMBL12283449 | 0.91 | PLA2G2A (0.30) | — | |
| SCHEMBL12324284 | 0.90 | SIRT2 (0.30) | — | |
| SCHEMBL12283935 | 0.90 | SIRT2 (0.30) | — | |
| SCHEMBL24316003 | 0.90 | SIRT2 (0.32) | — | |
| SCHEMBL12283860 | 0.89 | — | — | |
| SCHEMBL12283755 | 0.88 | PLA2G2A (0.32) | — | |
| SCHEMBL12282876 | 0.86 | — | — | |
| SCHEMBL15780929 | 0.85 | — | — | |
| SCHEMBL14902057 | 0.84 | KDM4E (0.35) | — |
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-2011133007-A2 | COMPOUND FOR OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE | CHEIL INDUSTRIES INC. (KR) | 2011-10-27 | — | — | WO | disclosed |