⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15241184 | 0.80 | — | — | |
| SCHEMBL19183713 | 0.77 | ANPEP (0.33) | — | |
| SCHEMBL1106850 | 0.74 | ANPEP (0.33) | — | |
| SCHEMBL19507120 | 0.69 | APLNR (0.31) | — | |
| SCHEMBL12776194 | 0.69 | — | — | |
| SCHEMBL17130198 | 0.64 | — | — | |
| SCHEMBL20907977 | 0.62 | ANPEP (0.39) | — | |
| SCHEMBL21226962 | 0.60 | ANPEP (0.33) | — | |
| SCHEMBL21227000 | 0.60 | ANPEP (0.33) | — | |
| SCHEMBL24215486 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018024724-A1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2018-02-08 | — | — | WO | disclosed |