⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13433732 | 0.76 | — | — | |
| SCHEMBL5395424 | 0.72 | — | — | |
| SCHEMBL9149485 | 0.67 | — | — | |
| SCHEMBL345777 | 0.64 | — | — | |
| SCHEMBL8995091 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL11724652 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL8995076 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL20570275 | 0.61 | CA2 (0.32) | — | |
| SCHEMBL9619921 | 0.61 | ALDH1A1 (0.47) | — | |
| SCHEMBL8468358 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7683222-B2 | Method of producing a fluorine-containing compound | FUJIFILM CORPORATION (JP) | 2010-03-23 | — | — | US | disclosed |