⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2791957 | 0.77 | — | — | |
| SCHEMBL705147 | 0.75 | — | — | |
| SCHEMBL2440199 | 0.72 | — | — | |
| SCHEMBL2790737 | 0.70 | — | — | |
| SCHEMBL2999713 | 0.70 | — | — | |
| SCHEMBL15841282 | 0.69 | — | — | |
| SCHEMBL4254718 | 0.68 | — | — | |
| SCHEMBL596561 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL18813466 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL4540597 | 0.65 | — | — |
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-0411666-B1 | Fluorinated carboxylic acid derivatives and methods for making | SHINETSU CHEMICAL CO (JP) | 1996-11-06 | — | — | EP | disclosed |