⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16478895 | 0.85 | MEN1 (0.40) | — | |
| SCHEMBL14610355 | 0.85 | MEN1 (0.40) | — | |
| SCHEMBL14221248 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL16473140 | 0.80 | — | — | |
| SCHEMBL14095020 | 0.78 | — | — | |
| SCHEMBL17445954 | 0.69 | MAPT (0.55) | — | |
| SCHEMBL12101244 | 0.61 | MEN1 (0.38) | — | |
| SCHEMBL17897725 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL13398977 | 0.60 | — | — | |
| SCHEMBL13419346 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2704683-B1 | CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS | BASF SE (DE) | 2017-10-18 | — | — | EP | disclosed |