⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12703113 | 0.91 | — | — | |
| SCHEMBL12703246 | 0.87 | — | — | |
| SCHEMBL16169840 | 0.87 | PDK2 (0.33) | — | |
| SCHEMBL12703262 | 0.86 | — | — | |
| SCHEMBL12292073 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL12703573 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL16169830 | 0.82 | PDK2 (0.30) | — | |
| SCHEMBL12703119 | 0.82 | PDK2 (0.30) | — | |
| SCHEMBL16169765 | 0.82 | PDK2 (0.30) | — | |
| SCHEMBL12703263 | 0.81 | PDK2 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8766001-B2 | Compounds for electronic devices | MERCK PATENT GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8766001-B2 | Compounds for electronic devices | MERCK PATENT GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20110092701-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-04-21 | — | — | US | disclosed |
| US-20110092701-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-04-21 | — | — | US | disclosed |