⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19683504 | 0.98 | — | — | |
| SCHEMBL19683521 | 0.96 | — | — | |
| SCHEMBL19683514 | 0.95 | — | — | |
| SCHEMBL19683507 | 0.91 | — | — | |
| SCHEMBL19683519 | 0.91 | — | — | |
| SCHEMBL19683520 | 0.90 | — | — | |
| SCHEMBL19683517 | 0.88 | — | — | |
| SCHEMBL19683422 | 0.87 | — | — | |
| SCHEMBL19683508 | 0.87 | — | — | |
| SCHEMBL19683518 | 0.86 | — | — |
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-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |