⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18815973 | 0.83 | — | — | |
| SCHEMBL18805108 | 0.76 | — | — | |
| SCHEMBL18805110 | 0.74 | — | — | |
| SCHEMBL21541222 | 0.74 | — | — | |
| SCHEMBL17038673 | 0.73 | — | — | |
| SCHEMBL17038661 | 0.73 | — | — | |
| SCHEMBL17038692 | 0.72 | — | — | |
| SCHEMBL17038691 | 0.72 | — | — | |
| SCHEMBL19678418 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL18805106 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015124290-A1 | FLUORINATED TENSIDES | MERCK PATENT GMBH (DE) | 2015-08-27 | — | — | WO | disclosed |