⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9889927 | 0.88 | PDK2 (0.36) | — | |
| SCHEMBL12246425 | 0.87 | — | — | |
| SCHEMBL12222874 | 0.86 | PDK2 (0.35) | — | |
| SCHEMBL9889925 | 0.79 | PDK2 (0.36) | — | |
| SCHEMBL9889936 | 0.78 | PDK2 (0.36) | — | |
| SCHEMBL1636534 | 0.72 | PDK2 (0.31) | — | |
| SCHEMBL9889922 | 0.71 | HSD17B1 (0.42) | — | |
| SCHEMBL27612407 | 0.69 | PDK2 (0.47) | — | |
| SCHEMBL20610361 | 0.68 | APP (0.46) | — | |
| SCHEMBL17694550 | 0.68 | MMP2 (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 |
|---|---|---|---|---|---|---|---|
| US-20120104943-A1 | MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2012-05-03 | — | — | US | disclosed |