⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1755028 | 0.85 | PRKDC (0.30) | — | |
| SCHEMBL1755012 | 0.80 | PRKDC (0.30) | — | |
| SCHEMBL10043206 | 0.79 | — | — | |
| SCHEMBL1755051 | 0.78 | ALOX5 (0.37) | — | |
| SCHEMBL1755183 | 0.78 | PRKDC (0.32) | — | |
| SCHEMBL1755209 | 0.77 | ALOX5 (0.37) | — | |
| SCHEMBL1755161 | 0.77 | — | — | |
| SCHEMBL1755421 | 0.76 | — | — | |
| SCHEMBL1755208 | 0.76 | — | — | |
| SCHEMBL1755188 | 0.76 | — | — |
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-2012050371-A1 | NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2012-04-19 | — | — | WO | disclosed |