⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21335705 | 0.77 | — | — | |
| SCHEMBL20040193 | 0.76 | — | — | |
| SCHEMBL20040205 | 0.75 | — | — | |
| SCHEMBL20040164 | 0.73 | — | — | |
| SCHEMBL21335702 | 0.73 | — | — | |
| SCHEMBL20040158 | 0.72 | — | — | |
| SCHEMBL21335610 | 0.71 | — | — | |
| SCHEMBL24637683 | 0.71 | — | — | |
| SCHEMBL20040207 | 0.69 | — | — | |
| SCHEMBL21335612 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3306690-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | Merck Patent GmbH (DE) | 2018-04-11 | — | — | EP | disclosed |