⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19683420 | 0.96 | — | — | |
| SCHEMBL19683282 | 0.94 | KDM4E (0.33) | — | |
| SCHEMBL19683283 | 0.94 | KDM4E (0.31) | — | |
| SCHEMBL19683280 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL19683426 | 0.85 | CYP2A6 (0.35) | — | |
| SCHEMBL19683425 | 0.85 | CYP2A6 (0.35) | — | |
| SCHEMBL19683275 | 0.82 | CYP2A6 (0.35) | — | |
| SCHEMBL19683279 | 0.82 | CYP2A6 (0.35) | — | |
| SCHEMBL19683295 | 0.78 | — | — | |
| SCHEMBL19683512 | 0.77 | MAOA (0.34) | — |
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 |