⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1207344 | 0.71 | — | — | |
| SCHEMBL14164523 | 0.66 | — | — | |
| SCHEMBL9755618 | 0.62 | — | — | |
| SCHEMBL3737376 | 0.59 | — | — | |
| SCHEMBL12510705 | 0.57 | — | — | |
| SCHEMBL9297398 | 0.57 | — | — | |
| SCHEMBL1964440 | 0.57 | — | — | |
| SCHEMBL12510920 | 0.56 | — | — | |
| SCHEMBL12510704 | 0.56 | — | — | |
| SCHEMBL1246293 | 0.48 | MEN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017157504-A1 | ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2017-09-21 | — | — | WO | disclosed |
| EP-3173435-A1 | SEMICONDUCTING MIXTURES | Merck Patent GmbH (DE) | 2017-05-31 | — | — | EP | disclosed |