⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10901236 | 0.73 | — | — | |
| SCHEMBL388392 | 0.70 | — | — | |
| SCHEMBL5573960 | 0.70 | — | — | |
| SCHEMBL11049492 | 0.70 | — | — | |
| SCHEMBL5574587 | 0.67 | — | — | |
| SCHEMBL1230087 | 0.65 | — | — | |
| SCHEMBL498825 | 0.64 | — | — | |
| SCHEMBL2283569 | 0.64 | THRB (0.42) | — | |
| SCHEMBL5574603 | 0.64 | — | — | |
| SCHEMBL4564679 | 0.64 | — | — |
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 |