⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12703318 | 0.96 | — | — | |
| SCHEMBL12703266 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL12703596 | 0.85 | — | — | |
| SCHEMBL12703286 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL12703238 | 0.84 | ACHE (0.35) | — | |
| SCHEMBL12703586 | 0.83 | — | — | |
| SCHEMBL12725042 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL17461495 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL12703275 | 0.82 | CNR1 (0.31) | — | |
| SCHEMBL12703224 | 0.82 | PDK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2276723-B1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2016-01-27 | — | — | EP | disclosed |
| 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 |
| WO-2009141026-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |