⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2160443 | 0.72 | — | — | |
| SCHEMBL710691 | 0.71 | — | — | |
| SCHEMBL6684600 | 0.66 | — | — | |
| SCHEMBL6854795 | 0.66 | — | — | |
| SCHEMBL4933561 | 0.65 | EPHX2 (0.32) | — | |
| SCHEMBL6744675 | 0.65 | — | — | |
| SCHEMBL167535 | 0.64 | — | — | |
| SCHEMBL7130933 | 0.64 | SLC6A4 (0.39) | — | |
| SCHEMBL3173540 | 0.64 | SLC6A4 (0.32) | — | |
| SCHEMBL7644965 | 0.64 | SLC6A4 (0.39) | — |
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-2611841-A1 | GATE INSULATOR LAYER FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028279-A1 | GATE INSULATOR LAYER FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |