⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4244039 | 0.80 | — | — | |
| SCHEMBL23092467 | 0.80 | — | — | |
| SCHEMBL197629 | 0.80 | — | — | |
| SCHEMBL23092469 | 0.80 | — | — | |
| SCHEMBL17673374 | 0.79 | — | — | |
| SCHEMBL17673375 | 0.79 | — | — | |
| SCHEMBL4762840 | 0.79 | — | — | |
| SCHEMBL489437 | 0.79 | — | — | |
| SCHEMBL29043448 | 0.79 | SLC6A2 (0.41) | — | |
| SCHEMBL10239066 | 0.79 | — | — |
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-2017008832-A1 | POLYMER SUPPORTED FLUORINATED ORGANOCATALYST | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2017-01-19 | — | — | WO | disclosed |