⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9711009 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL79580 | 0.95 | — | — | |
| SCHEMBL303088 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL304422 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL105253 | 0.91 | — | — | |
| SCHEMBL3622609 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL3627047 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL3619227 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL3618893 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL3617591 | 0.91 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116592-A | Electrodes | THE ELECTROSYNTHESIS COMPANY, INC. (US) | 1992-05-26 | — | — | US | disclosed |
| US-4908198-A | Preoxidizing carbon, fluorinating | THE ELECTROSYNTHESIS COMPANY, INC. (US) | 1990-03-13 | — | — | US | disclosed |
| EP-0248386-A2 | Fluorinated carbons and methods of manufacture | THE ELECTROSYNTHESIS COMPANY, INC. (US) | 1987-12-09 | — | — | EP | disclosed |