⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16731239 | 0.98 | — | — | |
| SCHEMBL16731128 | 0.96 | — | — | |
| SCHEMBL16731124 | 0.95 | — | — | |
| SCHEMBL15790395 | 0.94 | TSPO (0.31) | — | |
| SCHEMBL16731081 | 0.94 | — | — | |
| SCHEMBL16731132 | 0.93 | TSPO (0.31) | — | |
| SCHEMBL16731084 | 0.93 | — | — | |
| SCHEMBL16731082 | 0.93 | — | — | |
| SCHEMBL17194642 | 0.93 | — | — | |
| SCHEMBL16731071 | 0.93 | TSPO (0.30) | — |
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-2015072729-A1 | COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME | 덕산네오룩스 주식회사 | 2015-05-21 | — | — | WO | disclosed |