⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14933404 | 0.82 | PDK2 (0.36) | — | |
| SCHEMBL16389372 | 0.74 | BACE1 (0.33) | — | |
| SCHEMBL23805442 | 0.73 | HSD17B3 (0.33) | — | |
| SCHEMBL16389437 | 0.73 | HSD17B3 (0.33) | — | |
| SCHEMBL14933439 | 0.72 | TYRO3 (0.36) | — | |
| SCHEMBL16389453 | 0.70 | HSD17B3 (0.36) | — | |
| SCHEMBL16389457 | 0.70 | NPC1 (0.37) | — | |
| SCHEMBL18326500 | 0.70 | HSD17B3 (0.34) | — | |
| SCHEMBL19826272 | 0.70 | — | — | |
| SCHEMBL25821302 | 0.69 | PDK2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2773721-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |
| WO-2013064206-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2013-05-10 | — | — | WO | disclosed |