⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13789944 | 0.89 | — | — | |
| SCHEMBL13766227 | 0.78 | PDK2 (0.33) | — | |
| SCHEMBL18052893 | 0.78 | — | — | |
| SCHEMBL12728027 | 0.77 | MAPT (0.37) | — | |
| SCHEMBL17070761 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL13995057 | 0.74 | PDK2 (0.33) | — | |
| SCHEMBL15895282 | 0.73 | — | — | |
| SCHEMBL14174199 | 0.72 | PDK2 (0.38) | — | |
| SCHEMBL355554 | 0.71 | GPR84 (0.31) | — | |
| SCHEMBL11914302 | 0.71 | 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 |
|---|---|---|---|---|---|---|---|
| US-8241763-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2012-08-14 | — | — | US | disclosed |
| US-20090261717-A1 | NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2009-10-22 | — | — | US | disclosed |