⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17658043 | 0.93 | PDK2 (0.32) | — | |
| SCHEMBL17658010 | 0.93 | PDK2 (0.32) | — | |
| SCHEMBL17658243 | 0.89 | ABCB1 (0.31) | — | |
| SCHEMBL17658189 | 0.88 | — | — | |
| SCHEMBL17658258 | 0.88 | — | — | |
| SCHEMBL13507662 | 0.87 | PDK2 (0.34) | — | |
| SCHEMBL17658077 | 0.87 | — | — | |
| SCHEMBL17658241 | 0.87 | PDK2 (0.30) | — | |
| SCHEMBL17658063 | 0.87 | — | — | |
| SCHEMBL17658607 | 0.87 | — | — |
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-9923147-B2 | Organic light emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-03-20 | — | — | US | disclosed |