⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4855379 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL8995076 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1145086 | 0.70 | — | — | |
| SCHEMBL1144881 | 0.70 | — | — | |
| SCHEMBL4856068 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL997824 | 0.66 | — | — | |
| SCHEMBL3081427 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL8846228 | 0.65 | — | — | |
| SCHEMBL797239 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL5417530 | 0.65 | ALDH1A1 (0.30) | — |
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-0174614-A2 | Polyfluoroalkenyl ether and polymer comprising the same | DAIKIN INDUSTRIES, LIMITED (JP) | 1986-03-19 | — | — | EP | disclosed |